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

Systemtic Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C24H23ClN5+ MolecularWeight: 416.92592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN5/c25-20-7-3-5-18(15-20)17-29-11-13-30(14-12-29)24-21-8-1-2-9-22(21)27-23(28-24)19-6-4-10-26-16-19/h1-10,15-16H,11-14,17H2/p+1