[(2S)-2-(3-butoxyphenyl)-2-oxidanyl-ethyl]-(2-dimethylaminoethyl)azanium

Systemtic Name: [(2S)-2-(3-butoxyphenyl)-2-oxidanyl-ethyl]-(2-dimethylaminoethyl)azanium Openeye Name: [(2S)-2-(3-butoxyphenyl)-2-hydroxy-ethyl]-(2-dimethylaminoethyl)ammonium CAS Name: [(2S)-2-(3-butoxyphenyl)-2-hydroxyethyl]-(2-dimethylaminoethyl)ammonium IUPAC Name: [(2S)-2-(3-butoxyphenyl)-2-hydroxyethyl]-(2-dimethylaminoethyl)azanium Traditional Name: [(2S)-2-(3-butoxyphenyl)-2-hydroxy-ethyl]-(2-dimethylaminoethyl)ammonium Formula: C16H29N2O2+ MolecularWeight: 281.41366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(C[NH2+]CCN(C)C)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)[C@@H](C[NH2+]CCN(C)C)O

InChI

InChI=1S/C16H28N2O2/c1-4-5-11-20-15-8-6-7-14(12-15)16(19)13-17-9-10-18(2)3/h6-8,12,16-17,19H,4-5,9-11,13H2,1-3H3/p+1/t16-/m1/s1