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

Systemtic Name: N-[5-ethyl-3-(2-methoxyphenyl)carbonyl-thiophen-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[5-ethyl-3-(2-methoxybenzoyl)-2-thienyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-ethyl-3-[(2-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-ethyl-3-(2-methoxybenzoyl)thiophen-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-ethyl-3-o-anisoyl-2-thienyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-4-21-17-23(26(32)22-7-5-6-8-24(22)34-3)27(35-21)28-25(31)18-29-13-15-30(16-14-29)19-9-11-20(33-2)12-10-19/h5-12,17H,4,13-16,18H2,1-3H3,(H,28,31)/p+1