[2-[[(6aS,8S)-2-(5-chloranyl-2-methoxy-phenyl)-6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-[[(6aS,8S)-2-(5-chloranyl-2-methoxy-phenyl)-6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[[(6aS,8S)-2-(5-chloro-2-methoxy-phenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[[(6aS,8S)-2-(5-chloro-2-methoxyphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-2-oxoethyl]-methylammonium IUPAC Name: [2-[[(6aS,8S)-2-(5-chloro-2-methoxyphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[[(6aS,8S)-2-(5-chloro-2-methoxy-phenyl)-6,12-diketo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C23H26ClN4O4+ MolecularWeight: 457.92994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(=O)NC1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

C[NH2+]CC(=O)N[C@H]1CCN2[C@@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C23H25ClN4O4/c1-25-12-21(29)26-15-7-8-28-19(11-15)22(30)27-18-5-3-13(9-17(18)23(28)31)16-10-14(24)4-6-20(16)32-2/h3-6,9-10,15,19,25H,7-8,11-12H2,1-2H3,(H,26,29)(H,27,30)/p+1/t15-,19-/m0/s1