1-(2-methoxyphenyl)-4-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-[(3S)-1-(benzenesulfonyl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-besyl-3-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)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S/c1-28-22-12-6-5-11-21(22)24-16-14-23(15-17-24)19-8-7-13-25(18-19)29(26,27)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3/p+1/t19-/m0/s1