N-(4-piperidin-1-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-piperidin-1-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[4-(1-piperidyl)phenyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[4-(1-piperidinyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-piperidin-1-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-piperidinophenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H32N4OS+2 MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H30N4OS/c27-22(18-25-14-12-24(13-15-25)17-21-5-4-16-28-21)23-19-6-8-20(9-7-19)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15,17-18H2,(H,23,27)/p+2