N-[(4-chlorophenyl)methyl]-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[ethyl-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]amino]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[ethyl-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[ethyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C21H28ClN4O3S+ MolecularWeight: 451.99002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27ClN4O3S/c1-2-25(16-21(27)24-14-17-6-8-18(22)9-7-17)20-11-10-19(15-23-20)30(28,29)26-12-4-3-5-13-26/h6-11,15H,2-5,12-14,16H2,1H3,(H,24,27)/p+1