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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C[NH2+]CCN(C)C)O)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)[C@@H](C[NH2+]CCN(C)C)O)OC

InChI

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