N-[4-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]phenyl]ethanamide Openeye Name: N-[4-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]phenyl]acetamide CAS Name: N-[4-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]phenyl]acetamide IUPAC Name: N-[4-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]phenyl]acetamide Traditional Name: N-[4-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]phenyl]acetamide Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C19H23N3O2S/c1-15(23)20-17-6-4-16(5-7-17)13-19(24)22-10-8-21(9-11-22)14-18-3-2-12-25-18/h2-7,12H,8-11,13-14H2,1H3,(H,20,23)/p+1