N-[4-[[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-[(dimethylsulfamoylamino)methyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C17H29N4O3S+ MolecularWeight: 369.50216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)CNS(=O)(=O)N(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)N(C)C

InChI

InChI=1S/C17H28N4O3S/c1-14(22)19-17-8-6-15(7-9-17)12-21-10-4-5-16(13-21)11-18-25(23,24)20(2)3/h6-9,16,18H,4-5,10-13H2,1-3H3,(H,19,22)/p+1/t16-/m1/s1