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

Systemtic Name: N-[5-ethyl-3-(4-methylphenyl)carbonyl-thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-ethyl-3-(4-methylbenzoyl)-2-thienyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-ethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-ethyl-3-p-toluoyl-2-thienyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C26H30N3O2S+ MolecularWeight: 448.6003

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S/c1-3-22-17-23(25(31)20-11-9-19(2)10-12-20)26(32-22)27-24(30)18-28-13-15-29(16-14-28)21-7-5-4-6-8-21/h4-12,17H,3,13-16,18H2,1-2H3,(H,27,30)/p+1