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

Systemtic Name: N-[5-ethyl-3-(2-methoxyphenyl)carbonyl-thiophen-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[5-ethyl-3-(2-methoxybenzoyl)-2-thienyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-ethyl-3-[(2-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-ethyl-3-(2-methoxybenzoyl)thiophen-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-ethyl-3-o-anisoyl-2-thienyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C26H29N4O5S+ MolecularWeight: 509.59726

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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)[N+](=O)[O-])C(=O)C4=CC=CC=C4OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O5S/c1-3-20-16-22(25(32)21-6-4-5-7-23(21)35-2)26(36-20)27-24(31)17-28-12-14-29(15-13-28)18-8-10-19(11-9-18)30(33)34/h4-11,16H,3,12-15,17H2,1-2H3,(H,27,31)/p+1