1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(3-chloro-2-methyl-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-chloro-2-methylphenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(3-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=C1Cl)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

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