2-[4-ethanoyl-1-[phenyl(sulfanyl)methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: 2-[4-ethanoyl-1-[phenyl(sulfanyl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: 2-[4-acetyl-1-[phenyl(sulfanyl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: 2-[4-acetyl-1-[mercapto(phenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 2-[4-acetyl-1-[phenyl(sulfanyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: 2-[4-acetyl-1-[mercapto(phenyl)methyl]piperazin-1-ium-1-yl]propionamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[N+]1(CCN(CC1)C(=O)C)C(C2=CC=CC=C2)S

Isomeric SMILES

CC(C(=O)N)[N+]1(CCN(CC1)C(=O)C)C(C2=CC=CC=C2)S

InChI

InChI=1S/C16H23N3O2S/c1-12(15(17)21)19(10-8-18(9-11-19)13(2)20)16(22)14-6-4-3-5-7-14/h3-7,12,16H,8-11H2,1-2H3,(H2-,17,21,22)/p+1