carboxymethyl-[3-(3-methylphenyl)-4-oxidanyl-3-phenyl-butyl]-di(propan-2-yl)azanium

Systemtic Name: carboxymethyl-[3-(3-methylphenyl)-4-oxidanyl-3-phenyl-butyl]-di(propan-2-yl)azanium Openeye Name: carboxymethyl-[4-hydroxy-3-(m-tolyl)-3-phenyl-butyl]-diisopropyl-ammonium CAS Name: carboxymethyl-[4-hydroxy-3-(3-methylphenyl)-3-phenylbutyl]-di(propan-2-yl)ammonium IUPAC Name: carboxymethyl-[4-hydroxy-3-(3-methylphenyl)-3-phenylbutyl]-di(propan-2-yl)azanium Traditional Name: carboxymethyl-[4-hydroxy-3-(m-tolyl)-3-phenyl-butyl]-diisopropyl-ammonium Formula: C25H36NO3+ MolecularWeight: 398.55824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC[N+](CC(=O)O)(C(C)C)C(C)C)(CO)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)C(CC[N+](CC(=O)O)(C(C)C)C(C)C)(CO)C2=CC=CC=C2

InChI

InChI=1S/C25H35NO3/c1-19(2)26(20(3)4,17-24(28)29)15-14-25(18-27,22-11-7-6-8-12-22)23-13-9-10-21(5)16-23/h6-13,16,19-20,27H,14-15,17-18H2,1-5H3/p+1