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

Systemtic Name: 2-[ethyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[ethyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[ethyl-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[ethyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[ethyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]-N-(2-thenyl)acetamide Formula: C18H25N4O3S2+ MolecularWeight: 409.5461

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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)N3CCCC3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H24N4O3S2/c1-2-21(14-18(23)20-12-15-6-5-11-26-15)17-8-7-16(13-19-17)27(24,25)22-9-3-4-10-22/h5-8,11,13H,2-4,9-10,12,14H2,1H3,(H,20,23)/p+1