[2-[[(6aS,8S)-2-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: C22H24ClN4O3+ MolecularWeight: 427.90396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

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=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O3/c1-24-12-20(28)25-16-8-9-27-19(11-16)21(29)26-18-7-4-14(10-17(18)22(27)30)13-2-5-15(23)6-3-13/h2-7,10,16,19,24H,8-9,11-12H2,1H3,(H,25,28)(H,26,29)/p+1/t16-,19-/m0/s1