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

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl)-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: (2-ethoxy-2-oxo-ethyl)-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: (2-ethoxy-2-oxoethyl)-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]-methylammonium IUPAC Name: (2-ethoxy-2-oxoethyl)-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]-methylazanium Traditional Name: (2-ethoxy-2-keto-ethyl)-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-ammonium Formula: C21H36N2O5+2 MolecularWeight: 396.52094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+](C)CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CCOC(=O)C[NH+](C)CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C21H34N2O5/c1-4-27-21(25)15-22(2)13-17-8-9-19(26-3)20(12-17)28-16-18(24)14-23-10-6-5-7-11-23/h8-9,12,18,24H,4-7,10-11,13-16H2,1-3H3/p+2/t18-/m1/s1