1-(2-methoxyphenyl)-4-[1-(phenylsulfonyl)piperidin-4-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[1-(phenylsulfonyl)piperidin-4-yl]piperazin-4-ium Openeye Name: 1-[1-(benzenesulfonyl)-4-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[1-(benzenesulfonyl)-4-piperidinyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(1-besyl-4-piperidyl)-4-(2-methoxyphenyl)piperazin-1-ium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S/c1-28-22-10-6-5-9-21(22)24-17-15-23(16-18-24)19-11-13-25(14-12-19)29(26,27)20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3/p+1