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

Systemtic Name: 2-methoxy-6-[[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-methoxy-6-[[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-methoxy-6-[[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-methoxy-6-[[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-methoxy-6-[[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC=C2C=CC=C(C2=O)OC)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC=C2C=CC=C(C2=O)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O3/c1-25-19-10-4-3-9-17(19)18(23-12-5-6-13-23)15-22-14-16-8-7-11-20(26-2)21(16)24/h3-4,7-11,14,18,22H,5-6,12-13,15H2,1-2H3/p+1/t18-/m0/s1