6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC=C2C=CC=CC2=O)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC=C2C=CC=CC2=O)[NH+]3CCCC3

InChI

InChI=1S/C20H24N2O2/c1-24-18-9-6-8-16(13-18)19(22-11-4-5-12-22)15-21-14-17-7-2-3-10-20(17)23/h2-3,6-10,13-14,19,21H,4-5,11-12,15H2,1H3/p+1/t19-/m0/s1