[2-[[(6aS,8S)-2-bromanyl-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-bromanyl-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-bromo-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-bromo-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-bromo-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-bromo-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: C16H20BrN4O3+ MolecularWeight: 396.259

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O3/c1-18-8-14(22)19-10-4-5-21-13(7-10)15(23)20-12-3-2-9(17)6-11(12)16(21)24/h2-3,6,10,13,18H,4-5,7-8H2,1H3,(H,19,22)(H,20,23)/p+1/t10-,13-/m0/s1