1-[(4-chloranyl-2-methyl-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(4-chloranyl-2-methyl-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(4-chloro-2-methyl-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(4-chloro-2-methylanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-chloro-2-methylphenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(4-chloro-2-methyl-phenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C19H28ClN4OS+ MolecularWeight: 395.96982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4OS/c1-14-13-15(20)5-6-16(14)22-18(26)23-11-7-19(8-12-23,17(21)25)24-9-3-2-4-10-24/h5-6,13H,2-4,7-12H2,1H3,(H2,21,25)(H,22,26)/p+1