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

Systemtic Name: 4-methoxy-6-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-methoxy-6-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-methoxy-6-[[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-methoxy-6-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-methoxy-6-[[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCC2=CC=CC=C2C[NH+]3CCCC3)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNCC2=CC=CC=C2C[NH+]3CCCC3)C(=O)C=C1

InChI

InChI=1S/C20H24N2O2/c1-24-19-8-9-20(23)18(12-19)14-21-13-16-6-2-3-7-17(16)15-22-10-4-5-11-22/h2-3,6-9,12,14,21H,4-5,10-11,13,15H2,1H3/p+1