4-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-quinazoline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)quinazoline CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)quinazoline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylquinazoline Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)quinazoline Formula: C18H20N5+ MolecularWeight: 306.3849

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C18H19N5/c1-22-9-11-23(12-10-22)18-15-6-2-3-7-16(15)20-17(21-18)14-5-4-8-19-13-14/h2-8,13H,9-12H2,1H3/p+1