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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-7-6-14-23(15-17)27(25,26)19-10-8-18(9-11-19)21-20(24)16-22-12-4-2-3-5-13-22/h8-11,17H,2-7,12-16H2,1H3,(H,21,24)/p+1/t17-/m1/s1