1-naphthalen-2-ylsulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-naphthalen-2-ylsulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-naphthylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(2-naphthalenylsulfonyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-naphthylsulfonyl)isonipecotamide Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O3S/c32-28(29-26-14-16-30(17-15-26)21-22-6-2-1-3-7-22)24-12-18-31(19-13-24)35(33,34)27-11-10-23-8-4-5-9-25(23)20-27/h1-11,20,24,26H,12-19,21H2,(H,29,32)/p+1