N-[1-methyl-1-oxidanidyl-5-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[1-methyl-1-oxidanidyl-5-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[1-methyl-1-oxido-5-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-3-yl]-1H-indole-2-carboxamide CAS Name: N-[1-methyl-1-oxido-5-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[1-methyl-1-oxido-5-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[1-methyl-1-oxido-5-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-3-yl]-1H-indole-2-carboxamide Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(N=C(C2=CC=CC=C21)C3=C(C=C(C=C3OC)OC)OC)NC(=O)C4=CC5=CC=CC=C5N4)[O-]

Isomeric SMILES

C[N+]1(CC(N=C(C2=CC=CC=C21)C3=C(C=C(C=C3OC)OC)OC)NC(=O)C4=CC5=CC=CC=C5N4)[O-]

InChI

InChI=1S/C28H28N4O5/c1-32(34)16-25(31-28(33)21-13-17-9-5-7-11-20(17)29-21)30-27(19-10-6-8-12-22(19)32)26-23(36-3)14-18(35-2)15-24(26)37-4/h5-15,25,29H,16H2,1-4H3,(H,31,33)