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

Systemtic Name: 2-methoxy-6-[[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-methoxy-6-[[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-methoxy-6-[[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-methoxy-6-[[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-methoxy-6-[[[4-(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=CC(=CNCC2=CC=C(C=C2)C[NH+]3CCCC3)C1=O

Isomeric SMILES

COC1=CC=CC(=CNCC2=CC=C(C=C2)C[NH+]3CCCC3)C1=O

InChI

InChI=1S/C20H24N2O2/c1-24-19-6-4-5-18(20(19)23)14-21-13-16-7-9-17(10-8-16)15-22-11-2-3-12-22/h4-10,14,21H,2-3,11-13,15H2,1H3/p+1