2-azanyl-N-[1,3-dimethyl-2-(2-oxidanylidenepropylsulfanyl)imidazol-1-ium-4-yl]-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[1,3-dimethyl-2-(2-oxidanylidenepropylsulfanyl)imidazol-1-ium-4-yl]-3-phenyl-propanamide Openeye Name: N-(2-acetonylsulfanyl-1,3-dimethyl-imidazol-1-ium-4-yl)-2-amino-3-phenyl-propanamide CAS Name: 2-amino-N-[1,3-dimethyl-2-(2-oxopropylthio)-4-imidazol-1-iumyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[1,3-dimethyl-2-(2-oxopropylsulfanyl)imidazol-1-ium-4-yl]-3-phenylpropanamide Traditional Name: N-[2-(acetonylthio)-1,3-dimethyl-imidazol-1-ium-4-yl]-2-amino-3-phenyl-propionamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=[N+](C=C(N1C)NC(=O)C(CC2=CC=CC=C2)N)C

Isomeric SMILES

CC(=O)CSC1=[N+](C=C(N1C)NC(=O)C(CC2=CC=CC=C2)N)C

InChI

InChI=1S/C17H22N4O2S/c1-12(22)11-24-17-20(2)10-15(21(17)3)19-16(23)14(18)9-13-7-5-4-6-8-13/h4-8,10,14H,9,11,18H2,1-3H3/p+1