(3,5-dimethyl-4-oxidanyl-phenyl)methyl-[(1S)-1-pyridin-3-ylethyl]azanium

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)methyl-[(1S)-1-pyridin-3-ylethyl]azanium Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)methyl-[(1S)-1-(3-pyridyl)ethyl]ammonium CAS Name: (4-hydroxy-3,5-dimethylphenyl)methyl-[(1S)-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: (4-hydroxy-3,5-dimethylphenyl)methyl-[(1S)-1-pyridin-3-ylethyl]azanium Traditional Name: (4-hydroxy-3,5-dimethyl-benzyl)-[(1S)-1-(3-pyridyl)ethyl]ammonium Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH2+]C(C)C2=CN=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH2+][C@@H](C)C2=CN=CC=C2

InChI

InChI=1S/C16H20N2O/c1-11-7-14(8-12(2)16(11)19)9-18-13(3)15-5-4-6-17-10-15/h4-8,10,13,18-19H,9H2,1-3H3/p+1/t13-/m0/s1