N-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2-thienylmethyl)acetamide CAS Name: N-(4-methoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2-thenyl)acetamide Formula: C23H28N4O2S+2 MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N4O2S/c1-29-20-9-7-19(8-10-20)27(17-21-5-4-16-30-21)23(28)18-25-12-14-26(15-13-25)22-6-2-3-11-24-22/h2-11,16H,12-15,17-18H2,1H3/p+2