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

Systemtic Name: 2-methoxy-4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-methoxy-4-[[[4-(p-tolylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-methoxy-4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-methoxy-4-[[[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=CC(=O)C(=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=CC(=O)C(=C3)OC

InChI

InChI=1S/C20H25N3O2/c1-16-3-5-17(6-4-16)15-22-9-11-23(12-10-22)21-14-18-7-8-19(24)20(13-18)25-2/h3-8,13-14,21H,9-12,15H2,1-2H3/p+1