[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium CAS Name: [(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium IUPAC Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]azanium Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]CC(COC2=CC=CC(=C2)C)O

Isomeric SMILES

CC[NH+]1CCC[C@H]1C[NH2+]C[C@@H](COC2=CC=CC(=C2)C)O

InChI

InChI=1S/C17H28N2O2/c1-3-19-9-5-7-15(19)11-18-12-16(20)13-21-17-8-4-6-14(2)10-17/h4,6,8,10,15-16,18,20H,3,5,7,9,11-13H2,1-2H3/p+2/t15-,16-/m0/s1