(6-nitro-3,4-dihydro-2H-carbazol-9-ium-1-yl)-(phenylmethyl)azanium

Systemtic Name: (6-nitro-3,4-dihydro-2H-carbazol-9-ium-1-yl)-(phenylmethyl)azanium Openeye Name: benzyl-(6-nitro-3,4-dihydro-2H-carbazol-9-ium-1-yl)ammonium CAS Name: (6-nitro-3,4-dihydro-2H-carbazol-9-ium-1-yl)-(phenylmethyl)ammonium IUPAC Name: benzyl-(6-nitro-3,4-dihydro-2H-carbazol-9-ium-1-yl)azanium Traditional Name: benzyl-(6-nitro-3,4-dihydro-2H-carbazol-9-ium-1-yl)ammonium Formula: C19H19N3O2+2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C3C=C(C=CC3=[NH+]C2=C(C1)[NH2+]CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C3C=C(C=CC3=[NH+]C2=C(C1)[NH2+]CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O2/c23-22(24)14-9-10-17-16(11-14)15-7-4-8-18(19(15)21-17)20-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,20H,4,7-8,12H2/p+2