[3-(2-carboxyphenoxy)-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium hydrochloride

Systemtic Name: [3-(2-carboxyphenoxy)-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium hydrochloride Openeye Name: [3-(2-carboxyphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium hydrochloride CAS Name: [3-(2-carboxyphenoxy)-2-hydroxypropyl]-dimethyl-[2-(2-naphthalenyl)ethyl]ammonium hydrochloride IUPAC Name: [3-(2-carboxyphenoxy)-2-hydroxypropyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium hydrochloride Traditional Name: [3-(2-carboxyphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium hydrochloride Formula: C24H29ClNO4+ MolecularWeight: 430.94436

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC2=CC=CC=C2C=C1)CC(COC3=CC=CC=C3C(=O)O)O.Cl

Isomeric SMILES

C[N+](C)(CCC1=CC2=CC=CC=C2C=C1)CC(COC3=CC=CC=C3C(=O)O)O.Cl

InChI

InChI=1S/C24H27NO4.ClH/c1-25(2,14-13-18-11-12-19-7-3-4-8-20(19)15-18)16-21(26)17-29-23-10-6-5-9-22(23)24(27)28;/h3-12,15,21,26H,13-14,16-17H2,1-2H3;1H/p+1