[(2S)-1-[ethyl-(3-methylphenyl)amino]-4-methyl-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[ethyl-(3-methylphenyl)amino]-4-methyl-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(N-ethyl-3-methyl-anilino)methyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(N-ethyl-3-methylanilino)-4-methylpentan-2-yl]ammonium IUPAC Name: [(2S)-1-(N-ethyl-3-methylanilino)-4-methylpentan-2-yl]azanium Traditional Name: [(1S)-1-[(N-ethyl-3-methyl-anilino)methyl]-3-methyl-butyl]ammonium Formula: C15H27N2+ MolecularWeight: 235.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2/c1-5-17(11-14(16)9-12(2)3)15-8-6-7-13(4)10-15/h6-8,10,12,14H,5,9,11,16H2,1-4H3/p+1/t14-/m0/s1