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

Systemtic Name: 6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C17H21N2OS+ MolecularWeight: 301.42644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2OS/c20-16-7-2-1-6-14(16)12-18-13-15(17-8-5-11-21-17)19-9-3-4-10-19/h1-2,5-8,11-12,15,18H,3-4,9-10,13H2/p+1/t15-/m1/s1