(3S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-3-carboxamide CAS Name: (3S)-1-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)nipecotamide Formula: C20H39N4O3S+ MolecularWeight: 415.61366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC[NH+]3CCCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCC[NH+]3CCCC3)C

InChI

InChI=1S/C20H38N4O3S/c1-17-13-18(2)15-24(14-17)28(26,27)23-12-5-7-19(16-23)20(25)21-8-6-11-22-9-3-4-10-22/h17-19H,3-16H2,1-2H3,(H,21,25)/p+1/t17-,18-,19-/m0/s1