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

Systemtic Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: [2-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-prop-2-enylammonium IUPAC Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]ammonium Formula: C21H36N2O3+2 MolecularWeight: 364.52214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CC=C)OCC(C[NH+]2CCCCCCC2)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CC=C)OC[C@@H](C[NH+]2CCCCCCC2)O

InChI

InChI=1S/C21H34N2O3/c1-3-11-22-15-18-9-10-20(25-2)14-21(18)26-17-19(24)16-23-12-7-5-4-6-8-13-23/h3,9-10,14,19,22,24H,1,4-8,11-13,15-17H2,2H3/p+2/t19-/m1/s1