[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)phenyl]methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-[(1S)-1,5-dimethylhexyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-13(2)5-4-6-14(3)19-11-15-7-9-16(10-8-15)21-12-17(18)20/h7-10,13-14,19H,4-6,11-12H2,1-3H3,(H2,18,20)/p+1/t14-/m0/s1