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

Systemtic Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(3-methoxypropyl)azanium Openeye Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-(3-methoxypropyl)ammonium CAS Name: [2-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(3-methoxypropyl)azanium Traditional Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-(3-methoxypropyl)ammonium Formula: C22H40N2O4+2 MolecularWeight: 396.564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N2O4/c1-26-14-8-11-23-16-19-9-10-21(27-2)15-22(19)28-18-20(25)17-24-12-6-4-3-5-7-13-24/h9-10,15,20,23,25H,3-8,11-14,16-18H2,1-2H3/p+2/t20-/m1/s1