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

Systemtic Name: 1-[(4-chlorophenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(4-chlorophenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(4-chloroanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-chlorophenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(4-chlorophenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H26ClN4OS+ MolecularWeight: 381.94324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C18H25ClN4OS/c19-14-4-6-15(7-5-14)21-17(25)22-12-8-18(9-13-22,16(20)24)23-10-2-1-3-11-23/h4-7H,1-3,8-13H2,(H2,20,24)(H,21,25)/p+1