[2-[[(6aS,8S)-2-(furan-2-yl)-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-(furan-2-yl)-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-furyl)-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-furanyl)-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-(furan-2-yl)-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-furyl)-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: C20H23N4O4+ MolecularWeight: 383.42102

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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=CC=CO4

Isomeric SMILES

C[NH2+]CC(=O)N[C@H]1CCN2[C@@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C20H22N4O4/c1-21-11-18(25)22-13-6-7-24-16(10-13)19(26)23-15-5-4-12(9-14(15)20(24)27)17-3-2-8-28-17/h2-5,8-9,13,16,21H,6-7,10-11H2,1H3,(H,22,25)(H,23,26)/p+1/t13-,16-/m0/s1