[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)phenyl]methyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-[(1S)-1,4-dimethylpentyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]CC1=CC=C(C=C1)OCC(=O)N

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+]CC1=CC=C(C=C1)OCC(=O)N

InChI

InChI=1S/C16H26N2O2/c1-12(2)4-5-13(3)18-10-14-6-8-15(9-7-14)20-11-16(17)19/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H2,17,19)/p+1/t13-/m0/s1