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

Systemtic Name: [3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C22H40N3O4+3 MolecularWeight: 410.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]CCC[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC[C@@H](C[NH+]2CCOCC2)O)C[NH2+]CCC[NH+]3CCCC3

InChI

InChI=1S/C22H37N3O4/c1-27-21-7-4-6-19(16-23-8-5-11-24-9-2-3-10-24)22(21)29-18-20(26)17-25-12-14-28-15-13-25/h4,6-7,20,23,26H,2-3,5,8-18H2,1H3/p+3/t20-/m1/s1