7-chloranyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C18H20ClN5O+2 MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H18ClN5O/c19-13-4-5-14-15(11-13)21-16(22-18(14)25)12-23-7-9-24(10-8-23)17-3-1-2-6-20-17/h1-6,11H,7-10,12H2,(H,21,22,25)/p+2