3-(3-ethyl-2-methyl-6-phenyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(3-ethyl-2-methyl-6-phenyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(3-ethyl-2-methyl-6-phenyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate CAS Name: 3-(3-ethyl-2-methyl-6-phenyl-1-benzimidazol-3-iumyl)-1-propanesulfonate IUPAC Name: 3-(3-ethyl-2-methyl-6-phenylbenzimidazol-3-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3-ethyl-2-methyl-6-phenyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C19H22N2O3S/c1-3-20-15(2)21(12-7-13-25(22,23)24)19-14-17(10-11-18(19)20)16-8-5-4-6-9-16/h4-6,8-11,14H,3,7,12-13H2,1-2H3