2-dimethylaminoethyl-[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-oxidanyl-propyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)(C[NH2+]CCN(C)C)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@](C)(C[NH2+]CCN(C)C)O)OC

InChI

InChI=1S/C16H28N2O3/c1-6-21-14-8-7-13(11-15(14)20-5)16(2,19)12-17-9-10-18(3)4/h7-8,11,17,19H,6,9-10,12H2,1-5H3/p+1/t16-/m1/s1