[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-phenoxyethyl)azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-phenoxyethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(2-phenoxyethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-(2-phenoxyethyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(2-phenoxyethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(2-phenoxyethyl)ammonium Formula: C24H36N2O4+2 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCOC2=CC=CC=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCOC2=CC=CC=C2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C24H34N2O4/c1-28-23-11-10-20(17-25-12-15-29-22-8-4-2-5-9-22)16-24(23)30-19-21(27)18-26-13-6-3-7-14-26/h2,4-5,8-11,16,21,25,27H,3,6-7,12-15,17-19H2,1H3/p+2/t21-/m1/s1