4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-17-14-18(2)16-24(15-17)28(26,27)20-8-6-19(7-9-20)21(25)22-10-5-13-23-11-3-4-12-23/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,22,25)/p+1/t17-,18-/m1/s1