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

Systemtic Name: N-(4-methoxyphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C18H25N3O2S+2 MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H23N3O2S/c1-23-16-6-4-15(5-7-16)19-18(22)14-21-10-8-20(9-11-21)13-17-3-2-12-24-17/h2-7,12H,8-11,13-14H2,1H3,(H,19,22)/p+2