N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-phenethyl-ethanamide

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-phenethyl-ethanamide Openeye Name: N-[(5-methyl-2-thienyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-phenethyl-acetamide CAS Name: N-[(5-methyl-2-thiophenyl)methyl]-2-(3-oxo-1-piperazin-1-iumyl)-N-phenethylacetamide IUPAC Name: N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-phenethylacetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-acetamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C20H25N3O2S/c1-16-7-8-18(26-16)13-23(11-9-17-5-3-2-4-6-17)20(25)15-22-12-10-21-19(24)14-22/h2-8H,9-15H2,1H3,(H,21,24)/p+1