[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl]-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methyl-ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylammonium IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylazanium Traditional Name: [2-(cyclopropylamino)-2-keto-ethyl]-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methyl-ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+](C)CC(=O)NC2CC2)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH+](C)CC(=O)NC2CC2)O

InChI

InChI=1S/C16H24N2O3/c1-12-4-3-5-15(8-12)21-11-14(19)9-18(2)10-16(20)17-13-6-7-13/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3,(H,17,20)/p+1/t14-/m0/s1