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

Systemtic Name: 3-(6-chloranyl-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(6-chloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(6-chloro-2-methyl-3-phenyl-1-benzimidazol-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(6-chloro-2-methyl-3-phenylbenzimidazol-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(6-chloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)propane-1-sulfonate Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H17ClN2O3S/c1-13-19(10-5-11-24(21,22)23)17-12-14(18)8-9-16(17)20(13)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11H2,1H3