1-[(3,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(3,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(3,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3,5-dimethoxyanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(3,5-dimethoxyphenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)OC

InChI

InChI=1S/C20H30N4O3S/c1-26-16-12-15(13-17(14-16)27-2)22-19(28)23-10-6-20(7-11-23,18(21)25)24-8-4-3-5-9-24/h12-14H,3-11H2,1-2H3,(H2,21,25)(H,22,28)/p+1