1-(4-methylphenyl)sulfonyl-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]piperidine-3-carboxamide Openeye Name: N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[3-(2-methyl-1-piperidin-1-iumyl)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]piperidine-3-carboxamide Traditional Name: N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-tosyl-nipecotamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCC[NH+]1CCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H35N3O3S/c1-18-9-11-21(12-10-18)29(27,28)25-16-5-8-20(17-25)22(26)23-13-6-15-24-14-4-3-7-19(24)2/h9-12,19-20H,3-8,13-17H2,1-2H3,(H,23,26)/p+1