1-cyclopentyl-1-(4-methylphenyl)sulfonyl-2-piperidin-4-yl-benzimidazol-1-ium-5-carboxylic acid

Systemtic Name: 1-cyclopentyl-1-(4-methylphenyl)sulfonyl-2-piperidin-4-yl-benzimidazol-1-ium-5-carboxylic acid Openeye Name: 1-cyclopentyl-2-(4-piperidyl)-1-(p-tolylsulfonyl)benzimidazol-1-ium-5-carboxylic acid CAS Name: 1-cyclopentyl-1-(4-methylphenyl)sulfonyl-2-(4-piperidinyl)-5-benzimidazol-1-iumcarboxylic acid IUPAC Name: 1-cyclopentyl-1-(4-methylphenyl)sulfonyl-2-piperidin-4-ylbenzimidazol-1-ium-5-carboxylic acid Traditional Name: 1-cyclopentyl-2-(4-piperidyl)-1-tosyl-benzimidazol-1-ium-5-carboxylic acid Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C3=C(C=C(C=C3)C(=O)O)N=C2C4CCNCC4)C5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C3=C(C=C(C=C3)C(=O)O)N=C2C4CCNCC4)C5CCCC5

InChI

InChI=1S/C25H29N3O4S/c1-17-6-9-21(10-7-17)33(31,32)28(20-4-2-3-5-20)23-11-8-19(25(29)30)16-22(23)27-24(28)18-12-14-26-15-13-18/h6-11,16,18,20,26H,2-5,12-15H2,1H3/p+1