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

Systemtic Name: 2-azanyl-N-[1,3-dimethyl-2-(2-oxidanylidenepropylsulfanyl)imidazol-1-ium-4-yl]-3-phenyl-propanamide chloride hydrochloride Openeye Name: N-(2-acetonylsulfanyl-1,3-dimethyl-imidazol-1-ium-4-yl)-2-amino-3-phenyl-propanamide chloride hydrochloride CAS Name: 2-amino-N-[1,3-dimethyl-2-(2-oxopropylthio)-4-imidazol-1-iumyl]-3-phenylpropanamide chloride hydrochloride IUPAC Name: 2-amino-N-[1,3-dimethyl-2-(2-oxopropylsulfanyl)imidazol-1-ium-4-yl]-3-phenylpropanamide chloride hydrochloride Traditional Name: N-[2-(acetonylthio)-1,3-dimethyl-imidazol-1-ium-4-yl]-2-amino-3-phenyl-propionamide chloride hydrochloride Formula: C17H24Cl2N4O2S MolecularWeight: 419.36906

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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.Cl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S.2ClH/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;2*1H