2-methoxy-4-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-methoxy-4-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2CC[NH+](CC2)CC3=CC=CC=C3)C=CC1=O

Isomeric SMILES

COC1=CC(=CNN2CC[NH+](CC2)CC3=CC=CC=C3)C=CC1=O

InChI

InChI=1S/C19H23N3O2/c1-24-19-13-17(7-8-18(19)23)14-20-22-11-9-21(10-12-22)15-16-5-3-2-4-6-16/h2-8,13-14,20H,9-12,15H2,1H3/p+1