[4-[[[1-[(3-cyanophenyl)methyl]-5-nitro-indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium

Systemtic Name: [4-[[[1-[(3-cyanophenyl)methyl]-5-nitro-indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium Openeye Name: [4-[[[1-[(3-cyanophenyl)methyl]-5-nitro-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium CAS Name: [4-[[[[1-[(3-cyanophenyl)methyl]-5-nitro-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium IUPAC Name: [4-[[[1-[(3-cyanophenyl)methyl]-5-nitroindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium Traditional Name: [4-[[[1-(3-cyanobenzyl)-5-nitro-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium Formula: C27H26N5O3+ MolecularWeight: 468.52704

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C#N)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C#N)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O3/c1-32(2,3)24-10-7-19(8-11-24)17-29-27(33)26-15-22-14-23(31(34)35)9-12-25(22)30(26)18-21-6-4-5-20(13-21)16-28/h4-15H,17-18H2,1-3H3/p+1