(2S)-N-(4-methylsulfanylphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-methylsulfanylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-methylsulfanylphenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-[4-(methylthio)phenyl]-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-methylsulfanylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-[4-(methylthio)phenyl]-2-piperazin-4-ium-1-yl-propionamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)SC)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)SC)N2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3OS/c1-11(17-9-7-15-8-10-17)14(18)16-12-3-5-13(19-2)6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,16,18)/p+1/t11-/m0/s1