(2-azanyl-4-oxidanylidene-3-propan-2-yl-hexanoyl)-(2-carboxyethyl)-methyl-phenyl-azanium

Systemtic Name: (2-azanyl-4-oxidanylidene-3-propan-2-yl-hexanoyl)-(2-carboxyethyl)-methyl-phenyl-azanium Openeye Name: (2-amino-3-isopropyl-4-oxo-hexanoyl)-(2-carboxyethyl)-methyl-phenyl-ammonium CAS Name: (2-amino-1,4-dioxo-3-propan-2-ylhexyl)-(2-carboxyethyl)-methyl-phenylammonium IUPAC Name: (2-amino-4-oxo-3-propan-2-ylhexanoyl)-(2-carboxyethyl)-methyl-phenylazanium Traditional Name: (2-amino-3-isopropyl-4-keto-hexanoyl)-(2-carboxyethyl)-methyl-phenyl-ammonium Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-5-15(22)17(13(2)3)18(20)19(25)21(4,12-11-16(23)24)14-9-7-6-8-10-14/h6-10,13,17-18H,5,11-12,20H2,1-4H3/p+1