3-methyl-2-piperazin-4-ium-1-yl-quinazolin-4-one

Systemtic Name: 3-methyl-2-piperazin-4-ium-1-yl-quinazolin-4-one Openeye Name: 3-methyl-2-piperazin-4-ium-1-yl-quinazolin-4-one CAS Name: 3-methyl-2-(1-piperazin-4-iumyl)-4-quinazolinone IUPAC Name: 3-methyl-2-piperazin-4-ium-1-ylquinazolin-4-one Traditional Name: 3-methyl-2-piperazin-4-ium-1-yl-quinazolin-4-one Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1N3CC[NH2+]CC3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1N3CC[NH2+]CC3

InChI

InChI=1S/C13H16N4O/c1-16-12(18)10-4-2-3-5-11(10)15-13(16)17-8-6-14-7-9-17/h2-5,14H,6-9H2,1H3/p+1