2-chloranyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline

Systemtic Name: 2-chloranyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline Openeye Name: 2-chloro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline CAS Name: 2-chloro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]quinazoline IUPAC Name: 2-chloro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline Traditional Name: 2-chloro-4-(4-pyridin-1-ium-2-ylpiperazino)quinazoline Formula: C17H17ClN5+ MolecularWeight: 326.80338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=CC=CC=C43)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C17H16ClN5/c18-17-20-14-6-2-1-5-13(14)16(21-17)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2/p+1