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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-methyl-ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methylammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methylazanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-methyl-ammonium Formula: C19H34N2O3+2 MolecularWeight: 338.48486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCCC2)O)OC

Isomeric SMILES

C[NH2+]CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCCCCC2)O)OC

InChI

InChI=1S/C19H32N2O3/c1-20-13-16-8-9-18(19(12-16)23-2)24-15-17(22)14-21-10-6-4-3-5-7-11-21/h8-9,12,17,20,22H,3-7,10-11,13-15H2,1-2H3/p+2/t17-/m1/s1