4-methyl-1-(4-methylphenyl)sulfonyl-1-phenyl-4-(7-phenylheptyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 4-methyl-1-(4-methylphenyl)sulfonyl-1-phenyl-4-(7-phenylheptyl)piperidin-1-ium-2-carboxylate Openeye Name: 4-methyl-1-phenyl-4-(7-phenylheptyl)-1-(p-tolylsulfonyl)piperidin-1-ium-2-carboxylate CAS Name: 4-methyl-1-(4-methylphenyl)sulfonyl-1-phenyl-4-(7-phenylheptyl)-2-piperidin-1-iumcarboxylate IUPAC Name: 4-methyl-1-(4-methylphenyl)sulfonyl-1-phenyl-4-(7-phenylheptyl)piperidin-1-ium-2-carboxylate Traditional Name: 4-methyl-1-phenyl-4-(7-phenylheptyl)-1-tosyl-piperidin-1-ium-2-carboxylate Formula: C33H41NO4S MolecularWeight: 547.74794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(CCC(CC2C(=O)[O-])(C)CCCCCCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(CCC(CC2C(=O)[O-])(C)CCCCCCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H41NO4S/c1-27-19-21-30(22-20-27)39(37,38)34(29-17-11-7-12-18-29)25-24-33(2,26-31(34)32(35)36)23-13-5-3-4-8-14-28-15-9-6-10-16-28/h6-7,9-12,15-22,31H,3-5,8,13-14,23-26H2,1-2H3