4-methoxy-6-[[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-methoxy-6-[[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-methoxy-6-[[[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-methoxy-6-[[[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-methoxy-6-[[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-methoxy-6-[[[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCC(C2=CC=CS2)[NH+]3CCOCC3)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNC[C@H](C2=CC=CS2)[NH+]3CCOCC3)C(=O)C=C1

InChI

InChI=1S/C18H22N2O3S/c1-22-15-4-5-17(21)14(11-15)12-19-13-16(18-3-2-10-24-18)20-6-8-23-9-7-20/h2-5,10-12,16,19H,6-9,13H2,1H3/p+1/t16-/m1/s1