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

Systemtic Name: 4-phenyl-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 4-phenyl-2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]quinazoline CAS Name: 4-phenyl-2-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 4-phenyl-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]quinazoline Traditional Name: 4-phenyl-2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]quinazoline Formula: C24H24N5+ MolecularWeight: 382.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

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