1-[(4-butylphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(4-butylphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(4-butylphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(4-butylanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-butylphenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(4-butylphenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C22H34N4OS/c1-2-3-7-18-8-10-19(11-9-18)24-21(28)25-16-12-22(13-17-25,20(23)27)26-14-5-4-6-15-26/h8-11H,2-7,12-17H2,1H3,(H2,23,27)(H,24,28)/p+1