2-methoxy-6-[[4-(phenylmethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 2-methoxy-6-[[4-(phenylmethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(4-benzylpiperazin-4-ium-1-yl)-sulfanyl-methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[mercapto-[4-(phenylmethyl)-1-piperazin-4-iumyl]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(4-benzylpiperazin-4-ium-1-yl)-sulfanylmethylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(4-benzylpiperazin-4-ium-1-yl)-mercapto-methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C(N2CC[NH+](CC2)CC3=CC=CC=C3)S)C1=O

Isomeric SMILES

COC1=CC=CC(=C(N2CC[NH+](CC2)CC3=CC=CC=C3)S)C1=O

InChI

InChI=1S/C19H22N2O2S/c1-23-17-9-5-8-16(18(17)22)19(24)21-12-10-20(11-13-21)14-15-6-3-2-4-7-15/h2-9,24H,10-14H2,1H3/p+1