1-[2-(4-methylphenyl)sulfonylethyl]-4-pyrrol-1-yl-piperidin-1-ium

Systemtic Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyrrol-1-yl-piperidin-1-ium Openeye Name: 1-[2-(p-tolylsulfonyl)ethyl]-4-pyrrol-1-yl-piperidin-1-ium CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-(1-pyrrolyl)piperidin-1-ium IUPAC Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyrrol-1-ylpiperidin-1-ium Traditional Name: 4-pyrrol-1-yl-1-(2-tosylethyl)piperidin-1-ium Formula: C18H25N2O2S+ MolecularWeight: 333.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCC(CC2)N3C=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCC(CC2)N3C=CC=C3

InChI

InChI=1S/C18H24N2O2S/c1-16-4-6-18(7-5-16)23(21,22)15-14-19-12-8-17(9-13-19)20-10-2-3-11-20/h2-7,10-11,17H,8-9,12-15H2,1H3/p+1