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

Systemtic Name: 2-ethoxy-4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-ethoxy-4-[[[4-(p-tolylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-4-[[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-ethoxy-4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-ethoxy-4-[[[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2CC[NH+](CC2)CC3=CC=C(C=C3)C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNN2CC[NH+](CC2)CC3=CC=C(C=C3)C)C=CC1=O

InChI

InChI=1S/C21H27N3O2/c1-3-26-21-14-19(8-9-20(21)25)15-22-24-12-10-23(11-13-24)16-18-6-4-17(2)5-7-18/h4-9,14-15,22H,3,10-13,16H2,1-2H3/p+1