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

Systemtic Name: [2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-pentanoyl]-dimethyl-(phenylmethyl)azanium Openeye Name: [2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-pentanoyl]-benzyl-dimethyl-ammonium CAS Name: [2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxopentyl]-dimethyl-(phenylmethyl)ammonium IUPAC Name: [2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylpentanoyl]-benzyl-dimethylazanium Traditional Name: [2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-pentanoyl]-benzyl-dimethyl-ammonium Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4/c1-5-13(2)17(21-18(25)15(20)11-16(23)24)19(26)22(3,4)12-14-9-7-6-8-10-14/h6-10,13,15,17H,5,11-12,20H2,1-4H3,(H-,21,23,24,25)/p+1