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

Systemtic Name: 2-ethoxy-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-ethoxy-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-6-[[[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-ethoxy-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-ethoxy-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNCC(C2=CC=CS2)[NH+]3CCCC3)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNC[C@H](C2=CC=CS2)[NH+]3CCCC3)C1=O

InChI

InChI=1S/C19H24N2O2S/c1-2-23-17-8-5-7-15(19(17)22)13-20-14-16(18-9-6-12-24-18)21-10-3-4-11-21/h5-9,12-13,16,20H,2-4,10-11,14H2,1H3/p+1/t16-/m1/s1