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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-25-18-7-5-16(6-8-18)20(23-11-3-4-12-23)15-22-14-17-13-19(26-2)9-10-21(17)24/h5-10,13-14,20,22H,3-4,11-12,15H2,1-2H3/p+1/t20-/m0/s1