(7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7R)-4-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7-[(E)-styryl]-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7R)-4-methyl-2-(4-pyridin-1-ium-2-ylpiperazino)-7-[(E)-styryl]-7,8-dihydro-6H-quinazolin-5-one Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)C=CC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)C[C@@H](C2)/C=C/C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H27N5O/c1-19-25-22(17-21(18-23(25)32)11-10-20-7-3-2-4-8-20)29-26(28-19)31-15-13-30(14-16-31)24-9-5-6-12-27-24/h2-12,21H,13-18H2,1H3/p+1/b11-10+/t21-/m1/s1