1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-N'-(4,6-dimethyl-2-pyrimidinyl)methanediamine IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine Traditional Name: [amino(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C16H20N5+ MolecularWeight: 282.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2CCC3=CC=CC=C3C2)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2CCC3=CC=CC=C3C2)N)C

InChI

InChI=1S/C16H19N5/c1-11-9-12(2)19-16(18-11)20-15(17)21-8-7-13-5-3-4-6-14(13)10-21/h3-6,9H,7-8,10H2,1-2H3,(H2,17,18,19,20)/p+1