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

Systemtic Name: (4-piperidin-1-ylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1-piperidylsulfonyl)phenyl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-piperidinylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-piperidin-1-ylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-piperidinosulfonylphenyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H27N3O3S2/c25-21(23-14-12-22(13-15-23)17-19-5-4-16-28-19)18-6-8-20(9-7-18)29(26,27)24-10-2-1-3-11-24/h4-9,16H,1-3,10-15,17H2/p+1