N-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]-2-phenyl-ethanamine CAS Name: N-[(4-methoxy-3,5-dimethyl-2-pyridin-1-iumyl)methyl]-2-phenylethanamine IUPAC Name: N-[(4-methoxy-3,5-dimethylpyridin-1-ium-2-yl)methyl]-2-phenylethanamine Traditional Name: (4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl-phenethyl-amine Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C(=C1OC)C)CNCCC2=CC=CC=C2

Isomeric SMILES

CC1=C[NH+]=C(C(=C1OC)C)CNCCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O/c1-13-11-19-16(14(2)17(13)20-3)12-18-10-9-15-7-5-4-6-8-15/h4-8,11,18H,9-10,12H2,1-3H3/p+1