[4-[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]oxy-3,5-dimethyl-phenyl]methylazanium

Systemtic Name: [4-[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]oxy-3,5-dimethyl-phenyl]methylazanium Openeye Name: [4-[(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-phenyl]methylammonium CAS Name: [4-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylammonium IUPAC Name: [4-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylazanium Traditional Name: [4-[(1S)-2-(cyclopentylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2CCCC2)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)NC2CCCC2)C)C[NH3+]

InChI

InChI=1S/C17H26N2O2/c1-11-8-14(10-18)9-12(2)16(11)21-13(3)17(20)19-15-6-4-5-7-15/h8-9,13,15H,4-7,10,18H2,1-3H3,(H,19,20)/p+1/t13-/m0/s1