2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[methyl(2-thienylsulfonyl)amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[methyl(2-thienylsulfonyl)amino]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-22(28(25,26)20-6-5-13-27-20)16-19(24)21-14-17-7-9-18(10-8-17)15-23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,21,24)/p+1