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

Systemtic Name: N-[1-butyl-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[1-butyl-3-[(6-chloro-2-naphthyl)sulfonyl]-1-(2-methyl-4-pyridyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[1-butyl-3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-(2-methyl-4-pyridinyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[1-butyl-3-(6-chloronaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-[1-butyl-3-[(6-chloro-2-naphthyl)sulfonyl]-1-(2-methyl-4-pyridyl)piperidin-1-ium-4-yl]propionamide Formula: C28H35ClN3O3S+ MolecularWeight: 529.1138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(C(C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)NC(=O)CC)C4=CC(=NC=C4)C

Isomeric SMILES

CCCC[N+]1(CCC(C(C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)NC(=O)CC)C4=CC(=NC=C4)C

InChI

InChI=1S/C28H34ClN3O3S/c1-4-6-14-32(24-11-13-30-20(3)16-24)15-12-26(31-28(33)5-2)27(19-32)36(34,35)25-10-8-21-17-23(29)9-7-22(21)18-25/h7-11,13,16-18,26-27H,4-6,12,14-15,19H2,1-3H3/p+1