[1-(phenylsulfonyl)piperidin-4-yl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(phenylsulfonyl)piperidin-4-yl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-(benzenesulfonyl)-4-piperidyl]-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: [1-(benzenesulfonyl)-4-piperidinyl]-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-4-yl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-besyl-4-piperidyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S/c28-23(26-18-16-25(17-19-26)13-8-20-6-11-24-12-7-20)21-9-14-27(15-10-21)31(29,30)22-4-2-1-3-5-22/h1-7,11-12,21H,8-10,13-19H2/p+1