2-dimethylaminoethyl-[(2S)-2-(4-methoxy-3-propoxy-phenyl)-2-oxidanyl-ethyl]azanium

Systemtic Name: 2-dimethylaminoethyl-[(2S)-2-(4-methoxy-3-propoxy-phenyl)-2-oxidanyl-ethyl]azanium Openeye Name: 2-dimethylaminoethyl-[(2S)-2-hydroxy-2-(4-methoxy-3-propoxy-phenyl)ethyl]ammonium CAS Name: 2-dimethylaminoethyl-[(2S)-2-hydroxy-2-(4-methoxy-3-propoxyphenyl)ethyl]ammonium IUPAC Name: 2-dimethylaminoethyl-[(2S)-2-hydroxy-2-(4-methoxy-3-propoxyphenyl)ethyl]azanium Traditional Name: 2-dimethylaminoethyl-[(2S)-2-hydroxy-2-(4-methoxy-3-propoxy-phenyl)ethyl]ammonium Formula: C16H29N2O3+ MolecularWeight: 297.41306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C(C[NH2+]CCN(C)C)O)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)[C@@H](C[NH2+]CCN(C)C)O)OC

InChI

InChI=1S/C16H28N2O3/c1-5-10-21-16-11-13(6-7-15(16)20-4)14(19)12-17-8-9-18(2)3/h6-7,11,14,17,19H,5,8-10,12H2,1-4H3/p+1/t14-/m1/s1