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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-yl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-yl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridyl]methyl-(3-pyridylmethyl)ammonium Formula: C21H23N4+ MolecularWeight: 331.43412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC=N3)C[NH2+]CC4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC=N3)C[NH2+]CC4=CN=CC=C4

InChI

InChI=1S/C21H22N4/c1-2-7-20-16-25(12-9-18(20)6-1)21-19(8-4-11-24-21)15-23-14-17-5-3-10-22-13-17/h1-8,10-11,13,23H,9,12,14-16H2/p+1