4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H25N5/c1-19-6-4-7-20(16-19)18-29-12-14-30(15-13-29)25-22-9-2-3-10-23(22)27-24(28-25)21-8-5-11-26-17-21/h2-11,16-17H,12-15,18H2,1H3/p+1