[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]azanium

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]azanium Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]ammonium CAS Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl-[(1-methyl-2-imidazolyl)methyl]ammonium IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]azanium Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C20H25N5+2 MolecularWeight: 335.446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH2+]CC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CN=C1C[NH2+]CC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H23N5/c1-24-12-10-22-19(24)14-21-13-17-7-4-9-23-20(17)25-11-8-16-5-2-3-6-18(16)15-25/h2-7,9-10,12,21H,8,11,13-15H2,1H3/p+2