2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H31N3O3S/c1-18-13-19(2)16-24(15-18)17-23(27)25-9-11-26(12-10-25)30(28,29)22-8-7-20-5-3-4-6-21(20)14-22/h3-8,14,18-19H,9-13,15-17H2,1-2H3/p+1/t18-,19-/m1/s1