carboxy-(2-oxidanyl-4-phenyl-butyl)-di(propan-2-yl)azanium

Systemtic Name: carboxy-(2-oxidanyl-4-phenyl-butyl)-di(propan-2-yl)azanium Openeye Name: carboxy-(2-hydroxy-4-phenyl-butyl)-diisopropyl-ammonium CAS Name: carboxy-(2-hydroxy-4-phenylbutyl)-di(propan-2-yl)ammonium IUPAC Name: carboxy-(2-hydroxy-4-phenylbutyl)-di(propan-2-yl)azanium Traditional Name: carboxy-(2-hydroxy-4-phenyl-butyl)-diisopropyl-ammonium Formula: C17H28NO3+ MolecularWeight: 294.40912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](CC(CCC1=CC=CC=C1)O)(C(C)C)C(=O)O

Isomeric SMILES

CC(C)[N+](CC(CCC1=CC=CC=C1)O)(C(C)C)C(=O)O

InChI

InChI=1S/C17H27NO3/c1-13(2)18(14(3)4,17(20)21)12-16(19)11-10-15-8-6-5-7-9-15/h5-9,13-14,16,19H,10-12H2,1-4H3/p+1