2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[ethyl-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[ethyl-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[ethyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amino]-N-(2-thenyl)acetamide Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H26N4O3S2/c1-2-22(15-19(24)21-13-16-7-6-12-27-16)18-9-8-17(14-20-18)28(25,26)23-10-4-3-5-11-23/h6-9,12,14H,2-5,10-11,13,15H2,1H3,(H,21,24)/p+1