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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S2/c26-22(19-8-14-25(15-9-19)30(27,28)21-7-4-16-29-21)23-20-10-12-24(13-11-20)17-18-5-2-1-3-6-18/h1-7,16,19-20H,8-15,17H2,(H,23,26)/p+1