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

Systemtic Name: (7S)-7-[(E)-2-phenylethenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7-[(E)-styryl]-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-7-[(E)-2-phenylethenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-7-[(E)-2-phenylethenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-2-(4-pyridin-1-ium-2-ylpiperazino)-7-[(E)-styryl]-7,8-dihydro-6H-quinazolin-5-one Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=C4C(=N3)CC(CC4=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=C4C(=N3)C[C@@H](CC4=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O/c31-23-17-20(10-9-19-6-2-1-3-7-19)16-22-21(23)18-27-25(28-22)30-14-12-29(13-15-30)24-8-4-5-11-26-24/h1-11,18,20H,12-17H2/p+1/b10-9+/t20-/m0/s1