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

Systemtic Name: N-[5-ethyl-3-(2-methoxyphenyl)carbonyl-thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-ethyl-3-(2-methoxybenzoyl)-2-thienyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-ethyl-3-[(2-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-ethyl-3-(2-methoxybenzoyl)thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-ethyl-3-o-anisoyl-2-thienyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-3-20-17-22(25(31)21-11-7-8-12-23(21)32-2)26(33-20)27-24(30)18-28-13-15-29(16-14-28)19-9-5-4-6-10-19/h4-12,17H,3,13-16,18H2,1-2H3,(H,27,30)/p+1