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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(2-methoxyethyl)-propan-2-yl-azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-isopropyl-(2-methoxyethyl)ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(2-methoxyethyl)-propan-2-ylammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(2-methoxyethyl)-propan-2-ylazanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-isopropyl-(2-methoxyethyl)ammonium Formula: C24H44N2O4+2 MolecularWeight: 424.61716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42N2O4/c1-20(2)26(14-15-28-3)17-21-10-11-23(29-4)24(16-21)30-19-22(27)18-25-12-8-6-5-7-9-13-25/h10-11,16,20,22,27H,5-9,12-15,17-19H2,1-4H3/p+2/t22-/m1/s1