6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine

Systemtic Name: 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine Openeye Name: 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine CAS Name: 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine IUPAC Name: 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine Traditional Name: 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine Formula: C19H20N3+ MolecularWeight: 290.3822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC=[N+](CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2

Isomeric SMILES

C1CCC=[N+](CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2

InChI

InChI=1S/C19H20N3/c1-2-8-14-22(13-7-1)19-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)21-19/h3-6,9-13H,1-2,7-8,14H2,(H,20,21)/q+1