(7S)-7-(3-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-7-(3-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-7-(m-tolyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-7-(3-methylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-7-(3-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-7-(m-tolyl)-2-(4-pyridin-1-ium-2-ylpiperazino)-7,8-dihydro-6H-quinazolin-5-one Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CC3=NC(=NC=C3C(=O)C2)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC=CC(=C1)[C@H]2CC3=NC(=NC=C3C(=O)C2)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H25N5O/c1-17-5-4-6-18(13-17)19-14-21-20(22(30)15-19)16-26-24(27-21)29-11-9-28(10-12-29)23-7-2-3-8-25-23/h2-8,13,16,19H,9-12,14-15H2,1H3/p+1/t19-/m0/s1