4-(6-chloranyl-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(6-chloranyl-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)butane-1-sulfonic acid Openeye Name: 4-(6-chloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-(6-chloro-2-methyl-3-phenyl-1-benzimidazol-1-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(6-chloro-2-methyl-3-phenylbenzimidazol-1-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-(6-chloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)butane-1-sulfonic acid Formula: C18H20ClN2O3S+ MolecularWeight: 379.881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3S/c1-14-20(11-5-6-12-25(22,23)24)18-13-15(19)9-10-17(18)21(14)16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12H2,1H3/p+1