(3S)-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(6-pyrrolidinopyridin-1-ium-3-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C19H25N4O3S2+ MolecularWeight: 421.5568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H24N4O3S2/c24-19(21-16-7-8-17(20-13-16)22-9-1-2-10-22)15-5-3-11-23(14-15)28(25,26)18-6-4-12-27-18/h4,6-8,12-13,15H,1-3,5,9-11,14H2,(H,21,24)/p+1/t15-/m0/s1