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

Systemtic Name: 4-chloranyl-6-[[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C17H20ClN2OS+ MolecularWeight: 335.8715

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC=C2C=C(C=CC2=O)Cl)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC=C2C=C(C=CC2=O)Cl)C3=CC=CS3

InChI

InChI=1S/C17H19ClN2OS/c18-14-5-6-16(21)13(10-14)11-19-12-15(17-4-3-9-22-17)20-7-1-2-8-20/h3-6,9-11,15,19H,1-2,7-8,12H2/p+1/t15-/m0/s1