(1S)-2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)-3,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: (1S)-2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: (1S)-2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: (1S)-2,2-dimethyl-1-(1-methyl-4-pyridin-1-iumyl)-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: (1S)-2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: (1S)-2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)-3,4-dihydro-1H-isoquinolin-2-ium Formula: C17H22N2+2 MolecularWeight: 254.36998

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2C3=CC=CC=C3CC[N+]2(C)C

Isomeric SMILES

C[N+]1=CC=C(C=C1)[C@H]2C3=CC=CC=C3CC[N+]2(C)C

InChI

InChI=1S/C17H22N2/c1-18-11-8-15(9-12-18)17-16-7-5-4-6-14(16)10-13-19(17,2)3/h4-9,11-12,17H,10,13H2,1-3H3/q+2/t17-/m0/s1