[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: [(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [(1S)-2-(butylamino)-1-methyl-2-oxo-ethyl]-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [(2S)-1-(butylamino)-1-oxopropan-2-yl]-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-1-(butylamino)-1-oxopropan-2-yl]-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [(1S)-2-(butylamino)-2-keto-1-methyl-ethyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)[NH2+]CCC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCNC(=O)[C@H](C)[NH2+]CCC1=CC=C(C=C1)OC

InChI

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