2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]quinazolin-3-ium

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]quinazolin-3-ium Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]quinazolin-3-ium CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]quinazolin-3-ium IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]quinazolin-3-ium Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[4-(2-methylquinolin-1-ium-4-yl)piperazino]quinazolin-3-ium Formula: C31H32N6+2 MolecularWeight: 488.62598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=[NH+]C(=NC5=CC=CC=C54)N6CCC7=CC=CC=C7C6

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=[NH+]C(=NC5=CC=CC=C54)N6CCC7=CC=CC=C7C6

InChI

InChI=1S/C31H30N6/c1-22-20-29(25-10-4-6-12-27(25)32-22)35-16-18-36(19-17-35)30-26-11-5-7-13-28(26)33-31(34-30)37-15-14-23-8-2-3-9-24(23)21-37/h2-13,20H,14-19,21H2,1H3/p+2