[2-cyano-4-methoxy-5-[2-oxidanyl-3-(4-oxidanylpiperidin-1-yl)propoxy]phenyl]-methyl-(methylaminomethylidene)azanium

Systemtic Name: [2-cyano-4-methoxy-5-[2-oxidanyl-3-(4-oxidanylpiperidin-1-yl)propoxy]phenyl]-methyl-(methylaminomethylidene)azanium Openeye Name: [2-cyano-5-[2-hydroxy-3-(4-hydroxy-1-piperidyl)propoxy]-4-methoxy-phenyl]-methyl-(methylaminomethylene)ammonium CAS Name: [2-cyano-5-[2-hydroxy-3-(4-hydroxy-1-piperidinyl)propoxy]-4-methoxyphenyl]-methyl-(methylaminomethylidene)ammonium IUPAC Name: [2-cyano-5-[2-hydroxy-3-(4-hydroxypiperidin-1-yl)propoxy]-4-methoxyphenyl]-methyl-(methylaminomethylidene)azanium Traditional Name: [2-cyano-5-[2-hydroxy-3-(4-hydroxypiperidino)propoxy]-4-methoxy-phenyl]-methyl-(methylaminomethylene)ammonium Formula: C19H29N4O4+ MolecularWeight: 377.45796

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Descriptors Computed from Structure

Canonical SMILES:

CNC=[N+](C)C1=CC(=C(C=C1C#N)OC)OCC(CN2CCC(CC2)O)O

Isomeric SMILES

CNC=[N+](C)C1=CC(=C(C=C1C#N)OC)OCC(CN2CCC(CC2)O)O

InChI

InChI=1S/C19H28N4O4/c1-21-13-22(2)17-9-19(18(26-3)8-14(17)10-20)27-12-16(25)11-23-6-4-15(24)5-7-23/h8-9,13,15-16,24-25H,4-7,11-12H2,1-3H3/p+1