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

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethyl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(amylamino)-2-keto-1-methyl-ethyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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