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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3-pyridyl)quinazoline CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-pyridin-3-ylquinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3-pyridyl)quinazoline Formula: C24H24N5+ MolecularWeight: 382.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C24H23N5/c1-2-7-19(8-3-1)18-28-13-15-29(16-14-28)24-21-10-4-5-11-22(21)26-23(27-24)20-9-6-12-25-17-20/h1-12,17H,13-16,18H2/p+1