[(2S)-2-(4-butoxyphenyl)-2-oxidanyl-propyl]-(2-dimethylaminoethyl)azanium

Systemtic Name: [(2S)-2-(4-butoxyphenyl)-2-oxidanyl-propyl]-(2-dimethylaminoethyl)azanium Openeye Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-propyl]-(2-dimethylaminoethyl)ammonium CAS Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxypropyl]-(2-dimethylaminoethyl)ammonium IUPAC Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxypropyl]-(2-dimethylaminoethyl)azanium Traditional Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-propyl]-(2-dimethylaminoethyl)ammonium Formula: C17H31N2O2+ MolecularWeight: 295.44024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O2/c1-5-6-13-21-16-9-7-15(8-10-16)17(2,20)14-18-11-12-19(3)4/h7-10,18,20H,5-6,11-14H2,1-4H3/p+1/t17-/m1/s1