2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C20H28N4O3S/c1-16-11-17(2)14-22(13-16)15-20(25)23-7-9-24(10-8-23)28(26,27)19-6-4-3-5-18(19)12-21/h3-6,16-17H,7-11,13-15H2,1-2H3/p+1/t16-,17-/m1/s1