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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-4-yl-quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(4-pyridyl)quinazoline CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-pyridin-4-ylquinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-pyridin-4-ylquinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

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