1-(phenethylcarbamothioyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(phenethylcarbamothioyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(phenethylcarbamothioyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(phenethylamino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(phenethylcarbamothioyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(phenethylthiocarbamoyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NCCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NCCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H30N4OS/c21-18(25)20(24-13-5-2-6-14-24)10-15-23(16-11-20)19(26)22-12-9-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2,(H2,21,25)(H,22,26)/p+1