4-[2-[4-[(4-methylphenyl)methyl]-1-oxidanyl-piperidin-1-ium-1-yl]ethylsulfonyl]phenol

Systemtic Name: 4-[2-[4-[(4-methylphenyl)methyl]-1-oxidanyl-piperidin-1-ium-1-yl]ethylsulfonyl]phenol Openeye Name: 4-[2-[1-hydroxy-4-(p-tolylmethyl)piperidin-1-ium-1-yl]ethylsulfonyl]phenol CAS Name: 4-[2-[1-hydroxy-4-[(4-methylphenyl)methyl]-1-piperidin-1-iumyl]ethylsulfonyl]phenol IUPAC Name: 4-[2-[1-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-ium-1-yl]ethylsulfonyl]phenol Traditional Name: 4-[2-[1-hydroxy-4-(4-methylbenzyl)piperidin-1-ium-1-yl]ethylsulfonyl]phenol Formula: C21H28NO4S+ MolecularWeight: 390.51632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CC[N+](CC2)(CCS(=O)(=O)C3=CC=C(C=C3)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2CC[N+](CC2)(CCS(=O)(=O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C21H27NO4S/c1-17-2-4-18(5-3-17)16-19-10-12-22(24,13-11-19)14-15-27(25,26)21-8-6-20(23)7-9-21/h2-9,19,24H,10-16H2,1H3/p+1