2-ethoxy-6-iodanyl-4-[[(4-piperazin-4-ium-1-ylphenyl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-ethoxy-6-iodanyl-4-[[(4-piperazin-4-ium-1-ylphenyl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-ethoxy-6-iodo-4-[(4-piperazin-4-ium-1-ylanilino)methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-6-iodo-4-[[4-(1-piperazin-4-iumyl)anilino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-ethoxy-6-iodo-4-[(4-piperazin-4-ium-1-ylanilino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-ethoxy-6-iodo-4-[(4-piperazin-4-ium-1-ylanilino)methylene]cyclohexa-2,5-dien-1-one Formula: C19H23IN3O2+ MolecularWeight: 452.30929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNC2=CC=C(C=C2)N3CC[NH2+]CC3)C=C(C1=O)I

Isomeric SMILES

CCOC1=CC(=CNC2=CC=C(C=C2)N3CC[NH2+]CC3)C=C(C1=O)I

InChI

InChI=1S/C19H22IN3O2/c1-2-25-18-12-14(11-17(20)19(18)24)13-22-15-3-5-16(6-4-15)23-9-7-21-8-10-23/h3-6,11-13,21-22H,2,7-10H2,1H3/p+1