1-(2-chloranyl-4-methyl-phenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-4-methyl-phenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-4-methyl-phenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-4-methylphenyl)sulfonyl-N-[3-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-4-methylphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-4-methyl-phenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)isonipecotamide Formula: C21H33ClN3O3S+ MolecularWeight: 443.02302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCCCC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCCCC3)Cl

InChI

InChI=1S/C21H32ClN3O3S/c1-17-6-7-20(19(22)16-17)29(27,28)25-14-8-18(9-15-25)21(26)23-10-5-13-24-11-3-2-4-12-24/h6-7,16,18H,2-5,8-15H2,1H3,(H,23,26)/p+1