2-methyl-1-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-4aH-quinazolin-1-ium-4-one

Systemtic Name: 2-methyl-1-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-4aH-quinazolin-1-ium-4-one Openeye Name: 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-4aH-quinazolin-1-ium-4-one CAS Name: 2-methyl-1-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-4aH-quinazolin-1-ium-4-one IUPAC Name: 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-4aH-quinazolin-1-ium-4-one Traditional Name: 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-4aH-quinazolin-1-ium-4-one Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2C=CC=CC2=[N+]1C3=CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=O)C2C=CC=CC2=[N+]1C3=CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N3O/c1-16-22-21(25)19-9-5-6-10-20(19)24(16)18-11-13-23(14-12-18)15-17-7-3-2-4-8-17/h2-11,19H,12-15H2,1H3/q+1