N-[5-ethyl-3-(2-methoxyphenyl)carbonyl-thiophen-2-yl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[5-ethyl-3-(2-methoxyphenyl)carbonyl-thiophen-2-yl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[5-ethyl-3-(2-methoxybenzoyl)-2-thienyl]acetamide CAS Name: N-[5-ethyl-3-[(2-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[5-ethyl-3-(2-methoxybenzoyl)thiophen-2-yl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-ethyl-3-o-anisoyl-2-thienyl)acetamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C27H31N3O3S/c1-3-21-17-23(26(32)22-11-7-8-12-24(22)33-2)27(34-21)28-25(31)19-30-15-13-29(14-16-30)18-20-9-5-4-6-10-20/h4-12,17H,3,13-16,18-19H2,1-2H3,(H,28,31)/p+1