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

Systemtic Name: 2-ethoxy-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-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-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-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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