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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-prop-2-enylammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C19H32N2O3+2 MolecularWeight: 336.46898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC=C)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC=C)OC[C@@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C19H30N2O3/c1-3-9-20-13-16-7-8-18(23-2)19(12-16)24-15-17(22)14-21-10-5-4-6-11-21/h3,7-8,12,17,20,22H,1,4-6,9-11,13-15H2,2H3/p+2/t17-/m1/s1