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

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C18H21N5O+2 MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H19N5O/c24-18-14-5-1-2-6-15(14)20-16(21-18)13-22-9-11-23(12-10-22)17-7-3-4-8-19-17/h1-8H,9-13H2,(H,20,21,24)/p+2