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

Systemtic Name: 6-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(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=C(C=C2)CNC=C3C=CC=CC3=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC=C3C=CC=CC3=O

InChI

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