1-(phenylmethyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(phenylmethyl)sulfonyl-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H27N3O3S/c19-17(22)18(20-11-5-2-6-12-20)9-13-21(14-10-18)25(23,24)15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H2,19,22)/p+1