3-[2-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propane-1-sulfonate Openeye Name: 3-(3-benzyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate CAS Name: 3-[2-methyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-(3-benzyl-2-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3-benzyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1CCCS(=O)(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1CCCS(=O)(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3S/c1-15-19(12-7-13-24(21,22)23)17-10-5-6-11-18(17)20(15)14-16-8-3-2-4-9-16/h2-6,8-11H,7,12-14H2,1H3