2-[[(1S)-1-(4-methylphenyl)propyl]azaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[[(1S)-1-(4-methylphenyl)propyl]azaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: methylsulfonyl-[2-[[(1S)-1-(p-tolyl)propyl]ammonio]ethyl]azanide CAS Name: 2-[[(1S)-1-(4-methylphenyl)propyl]ammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[[(1S)-1-(4-methylphenyl)propyl]azaniumyl]ethyl-methylsulfonylazanide Traditional Name: mesyl-[2-[[(1S)-1-(p-tolyl)propyl]ammonio]ethyl]azanide Formula: C13H22N2O2S MolecularWeight: 270.39098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C)[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C13H21N2O2S/c1-4-13(12-7-5-11(2)6-8-12)14-9-10-15-18(3,16)17/h5-8,13-14H,4,9-10H2,1-3H3/q-1/p+1/t13-/m0/s1