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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(2-propan-2-yloxyethyl)azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-(2-isopropoxyethyl)ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(2-propan-2-yloxyethyl)ammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(2-propan-2-yloxyethyl)azanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-(2-isopropoxyethyl)ammonium Formula: C23H42N2O4+2 MolecularWeight: 410.59058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N2O4/c1-19(2)28-14-11-24-16-20-9-10-22(27-3)23(15-20)29-18-21(26)17-25-12-7-5-4-6-8-13-25/h9-10,15,19,21,24,26H,4-8,11-14,16-18H2,1-3H3/p+2/t21-/m1/s1