[(3R)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-yl]-morpholin-4-yl-methanone

Systemtic Name: [(3R)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-yl]-morpholin-4-yl-methanone Openeye Name: [(3R)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-yl]-morpholino-methanone CAS Name: [(3R)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]-3-piperidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [(3R)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-yl]-morpholin-4-ylmethanone Traditional Name: [(3R)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-yl]-morpholino-methanone Formula: C20H31N2O4S+ MolecularWeight: 395.53614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCCC(C2)C(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCC[C@H](C2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H30N2O4S/c1-16-5-6-17(2)19(14-16)27(24,25)13-10-21-7-3-4-18(15-21)20(23)22-8-11-26-12-9-22/h5-6,14,18H,3-4,7-13,15H2,1-2H3/p+1/t18-/m1/s1