[1-(phenylsulfonyl)piperidin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(phenylsulfonyl)piperidin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-(benzenesulfonyl)-4-piperidyl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-(benzenesulfonyl)-4-piperidinyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-besyl-4-piperidyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O3S2/c25-21(23-14-12-22(13-15-23)17-19-5-4-16-28-19)18-8-10-24(11-9-18)29(26,27)20-6-2-1-3-7-20/h1-7,16,18H,8-15,17H2/p+1