1-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H30ClN4O3S+ MolecularWeight: 441.9952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)OC)Cl

InChI

InChI=1S/C20H29ClN4O3S/c1-27-16-13-15(17(28-2)12-14(16)21)23-19(29)24-10-6-20(7-11-24,18(22)26)25-8-4-3-5-9-25/h12-13H,3-11H2,1-2H3,(H2,22,26)(H,23,29)/p+1