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

Systemtic Name: [4-[[[5-bromanyl-1-[(3-cyanophenyl)methyl]indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium Openeye Name: [4-[[[5-bromo-1-[(3-cyanophenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium CAS Name: [4-[[[[5-bromo-1-[(3-cyanophenyl)methyl]-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium IUPAC Name: [4-[[[5-bromo-1-[(3-cyanophenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium Traditional Name: [4-[[[5-bromo-1-(3-cyanobenzyl)indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium Formula: C27H26BrN4O+ MolecularWeight: 502.42554

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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)Br

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)Br

InChI

InChI=1S/C27H25BrN4O/c1-32(2,3)24-10-7-19(8-11-24)17-30-27(33)26-15-22-14-23(28)9-12-25(22)31(26)18-21-6-4-5-20(13-21)16-29/h4-15H,17-18H2,1-3H3/p+1