[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-(2-indol-1-ylethyl)-methyl-azanium

Systemtic Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-(2-indol-1-ylethyl)-methyl-azanium Openeye Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-(2-indol-1-ylethyl)-methyl-ammonium CAS Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl-[2-(1-indolyl)ethyl]-methylammonium IUPAC Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-(2-indol-1-ylethyl)-methylazanium Traditional Name: 2-indol-1-ylethyl-[[3-(2-methoxyethyl)-2-neopentylsulfonyl-imidazol-4-yl]methyl]-methyl-ammonium Formula: C23H35N4O3S+ MolecularWeight: 447.614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CCN2C=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C23H34N4O3S/c1-23(2,3)18-31(28,29)22-24-16-20(27(22)14-15-30-5)17-25(4)12-13-26-11-10-19-8-6-7-9-21(19)26/h6-11,16H,12-15,17-18H2,1-5H3/p+1