cyclopentyl-[(2S)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]azanium

Systemtic Name: cyclopentyl-[(2S)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]azanium Openeye Name: cyclopentyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]ammonium CAS Name: cyclopentyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]ammonium IUPAC Name: cyclopentyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]azanium Traditional Name: cyclopentyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC(C[NH2+]C2CCCC2)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC[C@@H](C[NH2+]C2CCCC2)O)C

InChI

InChI=1S/C17H27NO2/c1-13-7-8-17(11-14(13)2)20-10-9-16(19)12-18-15-5-3-4-6-15/h7-8,11,15-16,18-19H,3-6,9-10,12H2,1-2H3/p+1/t16-/m0/s1