3-[1-[3-(4-methylphenyl)propyl]-4-oxidanyl-piperidin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[1-[3-(4-methylphenyl)propyl]-4-oxidanyl-piperidin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-hydroxy-1-[3-(p-tolyl)propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-hydroxy-1-[3-(4-methylphenyl)propyl]-1-piperidin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-hydroxy-1-[3-(4-methylphenyl)propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-hydroxy-1-[3-(p-tolyl)propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid Formula: C18H30NO4S+ MolecularWeight: 356.5001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC[N+]2(CCC(CC2)O)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC[N+]2(CCC(CC2)O)CCCS(=O)(=O)O

InChI

InChI=1S/C18H29NO4S/c1-16-5-7-17(8-6-16)4-2-11-19(12-3-15-24(21,22)23)13-9-18(20)10-14-19/h5-8,18,20H,2-4,9-15H2,1H3/p+1