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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCC2=CC=CC=C2C[NH+]3CCCCC3)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNCC2=CC=CC=C2C[NH+]3CCCCC3)C(=O)C=C1

InChI

InChI=1S/C21H26N2O2/c1-25-20-9-10-21(24)19(13-20)15-22-14-17-7-3-4-8-18(17)16-23-11-5-2-6-12-23/h3-4,7-10,13,15,22H,2,5-6,11-12,14,16H2,1H3/p+1