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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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