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

Systemtic Name: 1-[(3,5-dimethylphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(3,5-dimethylphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3,5-dimethylphenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(3,5-dimethylphenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4OS/c1-15-12-16(2)14-17(13-15)22-19(26)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,22,26)/p+1