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

Systemtic Name: [4-[[[1-[(3-cyanophenyl)methyl]-5-methylsulfonyl-indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium Openeye Name: [4-[[[1-[(3-cyanophenyl)methyl]-5-methylsulfonyl-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium CAS Name: [4-[[[[1-[(3-cyanophenyl)methyl]-5-methylsulfonyl-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium IUPAC Name: [4-[[[1-[(3-cyanophenyl)methyl]-5-methylsulfonylindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium Traditional Name: [4-[[[1-(3-cyanobenzyl)-5-mesyl-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium Formula: C28H29N4O3S+ MolecularWeight: 501.61986

Click to see the large picture

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)S(=O)(=O)C

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)S(=O)(=O)C

InChI

InChI=1S/C28H28N4O3S/c1-32(2,3)24-10-8-20(9-11-24)18-30-28(33)27-16-23-15-25(36(4,34)35)12-13-26(23)31(27)19-22-7-5-6-21(14-22)17-29/h5-16H,18-19H2,1-4H3/p+1