N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-tetralin-6-ylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-tetralin-6-ylsulfonyl-isonipecotamide Formula: C28H38N3O3S+ MolecularWeight: 496.68462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H37N3O3S/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/h1-3,6-7,10-11,20,24,26H,4-5,8-9,12-19,21H2,(H,29,32)/p+1