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

Systemtic Name: 2-ethoxy-6-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-ethoxy-6-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-6-[[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-ethoxy-6-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-ethoxy-6-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNCC(C2=CC=CS2)[NH+]3CCC(CC3)C)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNC[C@H](C2=CC=CS2)[NH+]3CCC(CC3)C)C1=O

InChI

InChI=1S/C21H28N2O2S/c1-3-25-19-7-4-6-17(21(19)24)14-22-15-18(20-8-5-13-26-20)23-11-9-16(2)10-12-23/h4-8,13-14,16,18,22H,3,9-12,15H2,1-2H3/p+1/t18-/m1/s1