[(3S)-1-[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]carbonylpyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]carbonylpyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[3-chloro-4-[(1-methylsulfonyl-4-piperidyl)oxy]benzoyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[3-chloro-4-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-oxomethyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxybenzoyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[3-chloro-4-[(1-mesyl-4-piperidyl)oxy]benzoyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C19H29ClN3O4S+ MolecularWeight: 430.96926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)C(=O)C2=CC(=C(C=C2)OC3CCN(CC3)S(=O)(=O)C)Cl

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)C(=O)C2=CC(=C(C=C2)OC3CCN(CC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H28ClN3O4S/c1-21(2)15-6-9-22(13-15)19(24)14-4-5-18(17(20)12-14)27-16-7-10-23(11-8-16)28(3,25)26/h4-5,12,15-16H,6-11,13H2,1-3H3/p+1/t15-/m0/s1