4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-2-piperidin-1-yl-quinazoline

Systemtic Name: 4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-2-piperidin-1-yl-quinazoline Openeye Name: 4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-2-(1-piperidyl)quinazoline CAS Name: 4-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]-2-(1-piperidinyl)quinazoline IUPAC Name: 4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-2-piperidin-1-ylquinazoline Traditional Name: 4-[4-(2-methylquinolin-1-ium-4-yl)piperazino]-2-piperidino-quinazoline Formula: C27H31N6+ MolecularWeight: 439.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)N6CCCCC6

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)N6CCCCC6

InChI

InChI=1S/C27H30N6/c1-20-19-25(21-9-3-5-11-23(21)28-20)31-15-17-32(18-16-31)26-22-10-4-6-12-24(22)29-27(30-26)33-13-7-2-8-14-33/h3-6,9-12,19H,2,7-8,13-18H2,1H3/p+1