3,3-dimethyl-1-(pyridin-1-ium-1-ylmethyl)-4H-isoquinoline

Systemtic Name: 3,3-dimethyl-1-(pyridin-1-ium-1-ylmethyl)-4H-isoquinoline Openeye Name: 3,3-dimethyl-1-(pyridin-1-ium-1-ylmethyl)-4H-isoquinoline CAS Name: 3,3-dimethyl-1-(1-pyridin-1-iumylmethyl)-4H-isoquinoline IUPAC Name: 3,3-dimethyl-1-(pyridin-1-ium-1-ylmethyl)-4H-isoquinoline Traditional Name: 3,3-dimethyl-1-(pyridin-1-ium-1-ylmethyl)-4H-isoquinoline Formula: C17H19N2+ MolecularWeight: 251.34616

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)C[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)C[N+]3=CC=CC=C3)C

InChI

InChI=1S/C17H19N2/c1-17(2)12-14-8-4-5-9-15(14)16(18-17)13-19-10-6-3-7-11-19/h3-11H,12-13H2,1-2H3/q+1