[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]methylazanium

Systemtic Name: [4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]methylazanium Openeye Name: [4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]methylammonium CAS Name: [4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]methylammonium IUPAC Name: [4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]methylazanium Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonylbenzyl]ammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C13H20N2O2S/c1-11-3-2-8-15(10-11)18(16,17)13-6-4-12(9-14)5-7-13/h4-7,11H,2-3,8-10,14H2,1H3/p+1/t11-/m0/s1