4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]quinazolin-3-ium IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium Formula: C26H29N7+2 MolecularWeight: 439.55536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=[NH+]C(=NC4=CC=CC=C43)C[NH+]5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=[NH+]C(=NC4=CC=CC=C43)C[NH+]5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C26H27N7/c1-2-7-21-18-33(13-10-20(21)6-1)25-22-8-3-4-9-23(22)29-24(30-25)19-31-14-16-32(17-15-31)26-27-11-5-12-28-26/h1-9,11-12H,10,13-19H2/p+2