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

Systemtic Name: 4-chloranyl-6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2/c1-26-19-8-5-16(6-9-19)20(24-11-3-2-4-12-24)15-23-14-17-13-18(22)7-10-21(17)25/h5-10,13-14,20,23H,2-4,11-12,15H2,1H3/p+1/t20-/m0/s1