[2-[[(6aS,8S)-2-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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: C24H29N4O5+ MolecularWeight: 453.51086

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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=C(C=C4)OC)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=C(C=C4)OC)OC

InChI

InChI=1S/C24H28N4O5/c1-25-13-22(29)26-15-8-9-28-20(11-15)23(30)27-19-7-4-14(10-18(19)24(28)31)17-6-5-16(32-2)12-21(17)33-3/h4-7,10,12,15,20,25H,8-9,11,13H2,1-3H3,(H,26,29)(H,27,30)/p+1/t15-,20-/m0/s1