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

Systemtic Name: 2-ethoxy-6-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-ethoxy-6-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-6-[[[(2S)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-ethoxy-6-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-ethoxy-6-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNCC(C2=CC(=CC=C2)OC)[NH+]3CCCC3)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNC[C@H](C2=CC(=CC=C2)OC)[NH+]3CCCC3)C1=O

InChI

InChI=1S/C22H28N2O3/c1-3-27-21-11-7-9-18(22(21)25)15-23-16-20(24-12-4-5-13-24)17-8-6-10-19(14-17)26-2/h6-11,14-15,20,23H,3-5,12-13,16H2,1-2H3/p+1/t20-/m1/s1