(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C17H30N5O4S+ MolecularWeight: 400.5162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCCC(C2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H29N5O4S/c1-14-16(12-19-20(14)2)27(24,25)22-6-3-4-15(13-22)17(23)18-5-7-21-8-10-26-11-9-21/h12,15H,3-11,13H2,1-2H3,(H,18,23)/p+1/t15-/m0/s1