[(2S)-4-[ethyl-(2-methylphenyl)amino]butan-2-yl]azanium

Systemtic Name: [(2S)-4-[ethyl-(2-methylphenyl)amino]butan-2-yl]azanium Openeye Name: [(1S)-3-(N-ethyl-2-methyl-anilino)-1-methyl-propyl]ammonium CAS Name: [(2S)-4-(N-ethyl-2-methylanilino)butan-2-yl]ammonium IUPAC Name: [(2S)-4-(N-ethyl-2-methylanilino)butan-2-yl]azanium Traditional Name: [(1S)-3-(N-ethyl-2-methyl-anilino)-1-methyl-propyl]ammonium Formula: C13H23N2+ MolecularWeight: 207.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(C)[NH3+])C1=CC=CC=C1C

Isomeric SMILES

CCN(CC[C@H](C)[NH3+])C1=CC=CC=C1C

InChI

InChI=1S/C13H22N2/c1-4-15(10-9-12(3)14)13-8-6-5-7-11(13)2/h5-8,12H,4,9-10,14H2,1-3H3/p+1/t12-/m0/s1