N-[5-methyl-3-(phenylcarbonyl)thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-methyl-3-(phenylcarbonyl)thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-benzoyl-5-methyl-2-thienyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-benzoyl-5-methyl-2-thiophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-benzoyl-5-methylthiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-benzoyl-5-methyl-2-thienyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c1-18-16-21(23(29)19-8-4-2-5-9-19)24(30-18)25-22(28)17-26-12-14-27(15-13-26)20-10-6-3-7-11-20/h2-11,16H,12-15,17H2,1H3,(H,25,28)/p+1