4-chloranyl-6-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-6-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]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)CC2=CC=CC=C2CNC=C3C=C(C=CC3=O)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC=C3C=C(C=CC3=O)Cl

InChI

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