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

Systemtic Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C19H22ClN2O+ MolecularWeight: 329.84378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC=C2C=CC=CC2=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC=C2C=CC=CC2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H21ClN2O/c20-17-9-3-2-8-16(17)18(22-11-5-6-12-22)14-21-13-15-7-1-4-10-19(15)23/h1-4,7-10,13,18,21H,5-6,11-12,14H2/p+1/t18-/m1/s1