1-[2-(phenylsulfonyl)ethyl]-4-pyrrol-1-yl-piperidin-1-ium

Systemtic Name: 1-[2-(phenylsulfonyl)ethyl]-4-pyrrol-1-yl-piperidin-1-ium Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-4-pyrrol-1-yl-piperidin-1-ium CAS Name: 1-[2-(benzenesulfonyl)ethyl]-4-(1-pyrrolyl)piperidin-1-ium IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-4-pyrrol-1-ylpiperidin-1-ium Traditional Name: 1-(2-besylethyl)-4-pyrrol-1-yl-piperidin-1-ium Formula: C17H23N2O2S+ MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=CC=C2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N2C=CC=C2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H22N2O2S/c20-22(21,17-6-2-1-3-7-17)15-14-18-12-8-16(9-13-18)19-10-4-5-11-19/h1-7,10-11,16H,8-9,12-15H2/p+1