[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylphenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C20H31N3O3S/c1-4-21-9-11-22(12-10-21)20(24)18-5-7-19(8-6-18)27(25,26)23-14-16(2)13-17(3)15-23/h5-8,16-17H,4,9-15H2,1-3H3/p+1/t16-,17-/m1/s1