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

Systemtic Name: 3-propoxy-6-[[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-propoxy-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 3-propoxy-6-[[4-(1-pyrrolidin-1-iumylmethyl)anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-propoxy-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-propoxy-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNC2=CC=C(C=C2)C[NH+]3CCCC3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC2=CC=C(C=C2)C[NH+]3CCCC3)C=C1

InChI

InChI=1S/C21H26N2O2/c1-2-13-25-20-10-7-18(21(24)14-20)15-22-19-8-5-17(6-9-19)16-23-11-3-4-12-23/h5-10,14-15,22H,2-4,11-13,16H2,1H3/p+1