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

Systemtic Name: 6-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)C=C1

InChI

InChI=1S/C23H30N2O3/c1-3-14-28-21-11-8-19(23(26)15-21)16-24-17-22(25-12-4-5-13-25)18-6-9-20(27-2)10-7-18/h6-11,15-16,22,24H,3-5,12-14,17H2,1-2H3/p+1/t22-/m1/s1