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

Systemtic Name: 2-methoxy-6-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-methoxy-6-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-methoxy-6-[[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-methoxy-6-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-methoxy-6-[[[4-(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=CC(=CNCC2=CC=C(C=C2)C[NH+]3CCCCC3)C1=O

Isomeric SMILES

COC1=CC=CC(=CNCC2=CC=C(C=C2)C[NH+]3CCCCC3)C1=O

InChI

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