2-chloranyl-6-ethoxy-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-chloranyl-6-ethoxy-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-chloro-6-ethoxy-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-chloro-6-ethoxy-4-[mercapto-(4-methyl-1-piperazin-4-iumyl)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-chloro-6-ethoxy-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-chloro-6-ethoxy-4-[mercapto-(4-methylpiperazin-4-ium-1-yl)methylene]cyclohexa-2,5-dien-1-one Formula: C14H20ClN2O2S+ MolecularWeight: 315.8388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(N2CC[NH+](CC2)C)S)C=C(C1=O)Cl

Isomeric SMILES

CCOC1=CC(=C(N2CC[NH+](CC2)C)S)C=C(C1=O)Cl

InChI

InChI=1S/C14H19ClN2O2S/c1-3-19-12-9-10(8-11(15)13(12)18)14(20)17-6-4-16(2)5-7-17/h8-9,20H,3-7H2,1-2H3/p+1