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

Systemtic Name: 4-methoxy-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-methoxy-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-methoxy-6-[[[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-methoxy-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-methoxy-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCC(C2=CC=CS2)[NH+]3CCCC3)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNC[C@H](C2=CC=CS2)[NH+]3CCCC3)C(=O)C=C1

InChI

InChI=1S/C18H22N2O2S/c1-22-15-6-7-17(21)14(11-15)12-19-13-16(18-5-4-10-23-18)20-8-2-3-9-20/h4-7,10-12,16,19H,2-3,8-9,13H2,1H3/p+1/t16-/m1/s1