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

Systemtic Name: 4-methoxy-6-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-methoxy-6-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-methoxy-6-[[[(2S)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-methoxy-6-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-methoxy-6-[[[(2S)-2-(3-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(=CNCC(C2=CC(=CC=C2)OC)[NH+]3CCCC3)C(=O)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-25-18-7-5-6-16(12-18)20(23-10-3-4-11-23)15-22-14-17-13-19(26-2)8-9-21(17)24/h5-9,12-14,20,22H,3-4,10-11,15H2,1-2H3/p+1/t20-/m1/s1