1-(1H-imidazol-5-ylmethyl)-N,N,7-triphenyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ium-1-carboxamide

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-N,N,7-triphenyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ium-1-carboxamide Openeye Name: 1-(1H-imidazol-5-ylmethyl)-N,N,7-triphenyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ium-1-carboxamide CAS Name: 1-(1H-imidazol-5-ylmethyl)-N,N,7-triphenyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ium-1-carboxamide IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-N,N,7-triphenyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ium-1-carboxamide Traditional Name: 1-(1H-imidazol-5-ylmethyl)-N,N,7-triphenyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ium-1-carboxamide Formula: C32H30N5O+ MolecularWeight: 500.6135

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C2=C(CN1)C=C(C=C2)C3=CC=CC=C3)(CC4=CN=CN4)C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C[N+](C2=C(CN1)C=C(C=C2)C3=CC=CC=C3)(CC4=CN=CN4)C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H30N5O/c38-32(36(29-12-6-2-7-13-29)30-14-8-3-9-15-30)37(23-28-22-34-24-35-28)19-18-33-21-27-20-26(16-17-31(27)37)25-10-4-1-5-11-25/h1-17,20,22,24,33H,18-19,21,23H2,(H,34,35)/q+1