2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H29N3O4S/c1-17-14-23(15-18(2)29-17)16-22(26)24-9-11-25(12-10-24)30(27,28)21-8-7-19-5-3-4-6-20(19)13-21/h3-8,13,17-18H,9-12,14-16H2,1-2H3/p+1/t17-,18-/m0/s1