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

Systemtic Name: 6-[[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C19H23N2O+ MolecularWeight: 295.39872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC=C3C=CC=CC3=O

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC=C3C=CC=CC3=O

InChI

InChI=1S/C19H22N2O/c22-19-6-2-1-5-18(19)14-20-13-16-7-9-17(10-8-16)15-21-11-3-4-12-21/h1-2,5-10,14,20H,3-4,11-13,15H2/p+1