5-methyl-3-piperidin-1-ium-4-yl-quinazolin-4-one

Systemtic Name: 5-methyl-3-piperidin-1-ium-4-yl-quinazolin-4-one Openeye Name: 5-methyl-3-piperidin-1-ium-4-yl-quinazolin-4-one CAS Name: 5-methyl-3-(4-piperidin-1-iumyl)-4-quinazolinone IUPAC Name: 5-methyl-3-piperidin-1-ium-4-ylquinazolin-4-one Traditional Name: 5-methyl-3-piperidin-1-ium-4-yl-quinazolin-4-one Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=CN(C2=O)C3CC[NH2+]CC3

Isomeric SMILES

CC1=C2C(=CC=C1)N=CN(C2=O)C3CC[NH2+]CC3

InChI

InChI=1S/C14H17N3O/c1-10-3-2-4-12-13(10)14(18)17(9-16-12)11-5-7-15-8-6-11/h2-4,9,11,15H,5-8H2,1H3/p+1