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

Systemtic Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNCC(C2=CC=CC=C2Cl)[NH+]3CCCC3)C1=O

Isomeric SMILES

COC1=CC=CC(=CNC[C@H](C2=CC=CC=C2Cl)[NH+]3CCCC3)C1=O

InChI

InChI=1S/C20H23ClN2O2/c1-25-19-10-6-7-15(20(19)24)13-22-14-18(23-11-4-5-12-23)16-8-2-3-9-17(16)21/h2-3,6-10,13,18,22H,4-5,11-12,14H2,1H3/p+1/t18-/m1/s1