1-naphthalen-2-ylsulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(2-naphthylsulfonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(2-naphthalenylsulfonyl)-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(2-naphthylsulfonyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N

InChI

InChI=1S/C21H27N3O3S/c22-20(25)21(23-12-4-1-5-13-23)10-14-24(15-11-21)28(26,27)19-9-8-17-6-2-3-7-18(17)16-19/h2-3,6-9,16H,1,4-5,10-15H2,(H2,22,25)/p+1