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

Systemtic Name: [1-(phenylsulfonyl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(benzenesulfonyl)-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(benzenesulfonyl)-4-piperidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (1-besyl-4-piperidyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4O3S/c26-21(24-16-14-23(15-17-24)20-8-4-5-11-22-20)18-9-12-25(13-10-18)29(27,28)19-6-2-1-3-7-19/h1-8,11,18H,9-10,12-17H2/p+1