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

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H25N5O/c1-2-8-21(9-3-1)31-18-17-29-13-15-30(16-14-29)25-22-10-4-5-11-23(22)27-24(28-25)20-7-6-12-26-19-20/h1-12,19H,13-18H2/p+1