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

Systemtic Name: 2-ethoxy-6-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-ethoxy-6-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-6-[[[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-ethoxy-6-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-ethoxy-6-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C1=O

InChI

InChI=1S/C23H30N2O3/c1-3-28-22-9-7-8-19(23(22)26)16-24-17-21(25-14-5-4-6-15-25)18-10-12-20(27-2)13-11-18/h7-13,16,21,24H,3-6,14-15,17H2,1-2H3/p+1/t21-/m1/s1