[(3S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C21H29ClN3O2S+ MolecularWeight: 422.99186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

InChI

InChI=1S/C21H28ClN3O2S/c1-4-24(14-18-7-9-23-10-8-18)19-6-5-11-25(15-19)28(26,27)21-13-16(2)20(22)12-17(21)3/h7-10,12-13,19H,4-6,11,14-15H2,1-3H3/p+1/t19-/m0/s1