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

Systemtic Name: [(3S)-1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(3-chloro-2-methyl-phenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(3-chloro-2-methyl-phenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O2S/c1-3-23(14-17-9-11-22-12-10-17)18-6-5-13-24(15-18)27(25,26)20-8-4-7-19(21)16(20)2/h4,7-12,18H,3,5-6,13-15H2,1-2H3/p+1/t18-/m0/s1