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

Systemtic Name: 2-(6-nitro-1-oxidanylidene-3,4-dihydro-2H-carbazol-9-yl)ethyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-(6-nitro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl]ammonium CAS Name: 2-(6-nitro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-(6-nitro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl]azanium Traditional Name: dibenzyl-[2-(1-keto-6-nitro-3,4-dihydro-2H-carbazol-9-yl)ethyl]ammonium Formula: C28H28N3O3+ MolecularWeight: 454.54022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)N(C3=C2C=C(C=C3)[N+](=O)[O-])CC[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C(=O)C1)N(C3=C2C=C(C=C3)[N+](=O)[O-])CC[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c32-27-13-7-12-24-25-18-23(31(33)34)14-15-26(25)30(28(24)27)17-16-29(19-21-8-3-1-4-9-21)20-22-10-5-2-6-11-22/h1-6,8-11,14-15,18H,7,12-13,16-17,19-20H2/p+1