2-[[4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoyl]amino]ethyl-diethyl-ammonium Formula: C19H31ClN3O3S+ MolecularWeight: 416.98574

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC[C@@H](C2)C

InChI

InChI=1S/C19H30ClN3O3S/c1-4-22(5-2)12-10-21-19(24)16-8-9-17(20)18(13-16)27(25,26)23-11-6-7-15(3)14-23/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,24)/p+1/t15-/m0/s1