2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(4-methylpiperidino)sulfonylphenyl]acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC(C3)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C20H31N3O3S/c1-16-9-12-23(13-10-16)27(25,26)19-7-5-18(6-8-19)21-20(24)15-22-11-3-4-17(2)14-22/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,21,24)/p+1/t17-/m0/s1