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

Systemtic Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC=C2C=CC=CC2=O)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC=C2C=CC=CC2=O)[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2O2/c1-25-19-11-9-17(10-12-19)20(23-13-5-2-6-14-23)16-22-15-18-7-3-4-8-21(18)24/h3-4,7-12,15,20,22H,2,5-6,13-14,16H2,1H3/p+1/t20-/m0/s1