[(3S,4S)-3-[ethyl-(2-methylphenyl)amino]heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-[ethyl-(2-methylphenyl)amino]heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(N-ethyl-2-methyl-anilino)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(N-ethyl-2-methylanilino)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(N-ethyl-2-methylanilino)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(N-ethyl-2-methyl-anilino)-1-propyl-butyl]ammonium Formula: C16H29N2+ MolecularWeight: 249.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)N(CC)C1=CC=CC=C1C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-5-10-14(17)15(6-2)18(7-3)16-12-9-8-11-13(16)4/h8-9,11-12,14-15H,5-7,10,17H2,1-4H3/p+1/t14-,15-/m0/s1