1-[4,5-bis(bromanyl)thiophen-2-yl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[4,5-bis(bromanyl)thiophen-2-yl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(4,5-dibromo-2-thienyl)sulfonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(4,5-dibromo-2-thiophenyl)sulfonyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(4,5-dibromo-2-thienyl)sulfonyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C15H22Br2N3O3S2+ MolecularWeight: 516.29148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC(=C(S3)Br)Br)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC(=C(S3)Br)Br)C(=O)N

InChI

InChI=1S/C15H21Br2N3O3S2/c16-11-10-12(24-13(11)17)25(22,23)20-8-4-15(5-9-20,14(18)21)19-6-2-1-3-7-19/h10H,1-9H2,(H2,18,21)/p+1