2-cyanoethyl-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]-(2-methylpropyl)azanium

Systemtic Name: 2-cyanoethyl-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: 2-cyanoethyl-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-isobutyl-ammonium CAS Name: 2-cyanoethyl-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-(2-methylpropyl)ammonium IUPAC Name: 2-cyanoethyl-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-(2-methylpropyl)azanium Traditional Name: 2-cyanoethyl-[(2R)-2-hydroxy-3-p-anisyloxy-propyl]-isobutyl-ammonium Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CCC#N)CC(COCC1=CC=C(C=C1)OC)O

Isomeric SMILES

CC(C)C[NH+](CCC#N)C[C@H](COCC1=CC=C(C=C1)OC)O

InChI

InChI=1S/C18H28N2O3/c1-15(2)11-20(10-4-9-19)12-17(21)14-23-13-16-5-7-18(22-3)8-6-16/h5-8,15,17,21H,4,10-14H2,1-3H3/p+1/t17-/m1/s1