[4,5-bis(oxidanylidene)-1-[(1S,2R)-1-phenyl-1-piperidin-1-ium-1-yl-propan-2-yl]pyrrolidin-3-ylidene]-ethoxy-methanolate

Systemtic Name: [4,5-bis(oxidanylidene)-1-[(1S,2R)-1-phenyl-1-piperidin-1-ium-1-yl-propan-2-yl]pyrrolidin-3-ylidene]-ethoxy-methanolate Openeye Name: ethoxy-[1-[(1R,2S)-1-methyl-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: [4,5-dioxo-1-[(1S,2R)-1-phenyl-1-(1-piperidin-1-iumyl)propan-2-yl]-3-pyrrolidinylidene]-ethoxymethanolate IUPAC Name: [4,5-dioxo-1-[(1S,2R)-1-phenyl-1-piperidin-1-ium-1-ylpropan-2-yl]pyrrolidin-3-ylidene]-ethoxymethanolate Traditional Name: [4,5-diketo-1-[(1R,2S)-1-methyl-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyrrolidin-3-ylidene]-ethoxy-methanolate Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1CN(C(=O)C1=O)C(C)C(C2=CC=CC=C2)[NH+]3CCCCC3)[O-]

Isomeric SMILES

CCOC(=C1CN(C(=O)C1=O)[C@H](C)[C@H](C2=CC=CC=C2)[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C21H28N2O4/c1-3-27-21(26)17-14-23(20(25)19(17)24)15(2)18(16-10-6-4-7-11-16)22-12-8-5-9-13-22/h4,6-7,10-11,15,18,26H,3,5,8-9,12-14H2,1-2H3/t15-,18-/m1/s1