[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]methanone

Systemtic Name: [3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]methanone Openeye Name: [3-chloro-4-[(1-methylsulfonyl-4-piperidyl)oxy]phenyl]-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]methanone CAS Name: [3-chloro-4-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-[(3S)-3,4-dimethyl-1-piperazin-4-iumyl]methanone IUPAC Name: [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]methanone Traditional Name: [3-chloro-4-[(1-mesyl-4-piperidyl)oxy]phenyl]-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]methanone Formula: C19H29ClN3O4S+ MolecularWeight: 430.96926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)C(=O)C2=CC(=C(C=C2)OC3CCN(CC3)S(=O)(=O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O4S/c1-14-13-22(11-10-21(14)2)19(24)15-4-5-18(17(20)12-15)27-16-6-8-23(9-7-16)28(3,25)26/h4-5,12,14,16H,6-11,13H2,1-3H3/p+1/t14-/m0/s1