[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]-dimethyl-(phenylmethyl)azanium

Systemtic Name: [2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]-dimethyl-(phenylmethyl)azanium Openeye Name: [2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]-benzyl-dimethyl-ammonium CAS Name: [2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]-dimethyl-(phenylmethyl)ammonium IUPAC Name: [2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]-benzyl-dimethylazanium Traditional Name: [2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]-benzyl-dimethyl-ammonium Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[N+](C)(C)CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)[N+](C)(C)CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C18H27N3O4/c1-12(2)16(20-17(24)14(19)10-15(22)23)18(25)21(3,4)11-13-8-6-5-7-9-13/h5-9,12,14,16H,10-11,19H2,1-4H3,(H-,20,22,23,24)/p+1