3-[[(3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-3-piperidinyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C18H31ClN3O2S+ MolecularWeight: 388.97564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)N(C)CCC[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)N(C)CCC[NH+](C)C)Cl

InChI

InChI=1S/C18H30ClN3O2S/c1-15-8-9-17(13-18(15)19)25(23,24)22-12-5-7-16(14-22)21(4)11-6-10-20(2)3/h8-9,13,16H,5-7,10-12,14H2,1-4H3/p+1/t16-/m0/s1