1-methyl-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]quinazolin-4-one

Systemtic Name: 1-methyl-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]quinazolin-4-one Openeye Name: 1-methyl-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]quinazolin-4-one CAS Name: 1-methyl-2-[4-(1-piperidin-1-iumylmethyl)phenyl]-4-quinazolinone IUPAC Name: 1-methyl-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]quinazolin-4-one Traditional Name: 1-methyl-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]quinazolin-4-one Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N=C1C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N=C1C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C21H23N3O/c1-23-19-8-4-3-7-18(19)21(25)22-20(23)17-11-9-16(10-12-17)15-24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3/p+1