(4-phenethylpiperazin-4-ium-1-yl)-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone

Systemtic Name: (4-phenethylpiperazin-4-ium-1-yl)-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone Openeye Name: (4-phenethylpiperazin-4-ium-1-yl)-[3-(1-piperidylsulfonyl)-2-thienyl]methanone CAS Name: (4-phenethyl-1-piperazin-4-iumyl)-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methanone IUPAC Name: (4-phenethylpiperazin-4-ium-1-yl)-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-(3-piperidinosulfonyl-2-thienyl)methanone Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S2/c26-22(21-20(10-18-29-21)30(27,28)25-11-5-2-6-12-25)24-16-14-23(15-17-24)13-9-19-7-3-1-4-8-19/h1,3-4,7-8,10,18H,2,5-6,9,11-17H2/p+1