2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H28N4O3S/c1-17-7-8-19(29(27,28)25-11-5-4-6-12-25)15-20(17)22-21(26)16-24-13-9-18(10-14-24)23(2)3/h7-10,13-15H,4-6,11-12,16H2,1-3H3/p+1