(2-oxidanyl-5-pyridin-3-yl-phenyl)methyl-[(2S)-2-phenylpropyl]azanium

Systemtic Name: (2-oxidanyl-5-pyridin-3-yl-phenyl)methyl-[(2S)-2-phenylpropyl]azanium Openeye Name: [2-hydroxy-5-(3-pyridyl)phenyl]methyl-[(2S)-2-phenylpropyl]ammonium CAS Name: [2-hydroxy-5-(3-pyridinyl)phenyl]methyl-[(2S)-2-phenylpropyl]ammonium IUPAC Name: (2-hydroxy-5-pyridin-3-ylphenyl)methyl-[(2S)-2-phenylpropyl]azanium Traditional Name: [2-hydroxy-5-(3-pyridyl)benzyl]-[(2S)-2-phenylpropyl]ammonium Formula: C21H23N2O+ MolecularWeight: 319.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC1=C(C=CC(=C1)C2=CN=CC=C2)O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[NH2+]CC1=C(C=CC(=C1)C2=CN=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O/c1-16(17-6-3-2-4-7-17)13-23-15-20-12-18(9-10-21(20)24)19-8-5-11-22-14-19/h2-12,14,16,23-24H,13,15H2,1H3/p+1/t16-/m1/s1