2-methoxy-6-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 2-methoxy-6-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-benzylpiperazin-4-ium-1-yl)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 2-methoxy-6-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-benzylpiperazin-4-ium-1-yl)-1H-quinazolin-2-ylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-benzylpiperazin-4-ium-1-yl)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2NC3=CC=CC=C3C(=N2)N4CC[NH+](CC4)CC5=CC=CC=C5)C1=O

Isomeric SMILES

COC1=CC=CC(=C2NC3=CC=CC=C3C(=N2)N4CC[NH+](CC4)CC5=CC=CC=C5)C1=O

InChI

InChI=1S/C26H26N4O2/c1-32-23-13-7-11-21(24(23)31)25-27-22-12-6-5-10-20(22)26(28-25)30-16-14-29(15-17-30)18-19-8-3-2-4-9-19/h2-13,27H,14-18H2,1H3/p+1