[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[3-(2-methylpropoxy)propyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[3-(2-methylpropoxy)propyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)phenyl]methyl-(3-isobutoxypropyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[3-(2-methylpropoxy)propyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[3-(2-methylpropoxy)propyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-(3-isobutoxypropyl)ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-13(2)11-20-9-3-8-18-10-14-4-6-15(7-5-14)21-12-16(17)19/h4-7,13,18H,3,8-12H2,1-2H3,(H2,17,19)/p+1