N-[1-(2-acetamidoethyl)-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[1-(2-acetamidoethyl)-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[1-(2-acetamidoethyl)-3-[(6-chloro-2-naphthyl)sulfonyl]-1-(2-methyl-4-pyridyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[1-(2-acetamidoethyl)-3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-(2-methyl-4-pyridinyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[1-(2-acetamidoethyl)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-[1-(2-acetamidoethyl)-3-[(6-chloro-2-naphthyl)sulfonyl]-1-(2-methyl-4-pyridyl)piperidin-1-ium-4-yl]propionamide Formula: C28H34ClN4O4S+ MolecularWeight: 558.11196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC[N+](CC1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)(CCNC(=O)C)C4=CC(=NC=C4)C

Isomeric SMILES

CCC(=O)NC1CC[N+](CC1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)(CCNC(=O)C)C4=CC(=NC=C4)C

InChI

InChI=1S/C28H33ClN4O4S/c1-4-28(35)32-26-10-13-33(14-12-31-20(3)34,24-9-11-30-19(2)15-24)18-27(26)38(36,37)25-8-6-21-16-23(29)7-5-22(21)17-25/h5-9,11,15-17,26-27H,4,10,12-14,18H2,1-3H3,(H-,31,32,34,35)/p+1