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

Systemtic Name: [(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C17H30N2O3+2 MolecularWeight: 310.4317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O3/c1-15-3-5-17(6-4-15)22-14-16(20)13-18-7-2-8-19-9-11-21-12-10-19/h3-6,16,18,20H,2,7-14H2,1H3/p+2/t16-/m0/s1