(2-methyl-2-morpholin-4-ium-4-yl-propyl)-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: (2-methyl-2-morpholin-4-ium-4-yl-propyl)-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ammonium CAS Name: [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[2-methyl-2-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-(2-methyl-2-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ammonium Formula: C18H32N2O3+2 MolecularWeight: 324.45828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH2+]CC(C)(C)[NH+]2CCOCC2)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH2+]CC(C)(C)[NH+]2CCOCC2)O

InChI

InChI=1S/C18H30N2O3/c1-15-5-4-6-17(11-15)23-13-16(21)12-19-14-18(2,3)20-7-9-22-10-8-20/h4-6,11,16,19,21H,7-10,12-14H2,1-3H3/p+2/t16-/m0/s1