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

Systemtic Name: 6-[[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(piperidin-1-ium-1-ylmethyl)benzyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC=C3C=CC=CC3=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC=C3C=CC=CC3=O

InChI

InChI=1S/C20H24N2O/c23-20-11-5-4-9-18(20)15-21-14-17-8-2-3-10-19(17)16-22-12-6-1-7-13-22/h2-5,8-11,15,21H,1,6-7,12-14,16H2/p+1