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

Systemtic Name: 1-[(4-methoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(4-methoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(4-methoxyanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-methoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(4-methoxyphenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C19H28N4O2S/c1-25-16-7-5-15(6-8-16)21-18(26)22-13-9-19(10-14-22,17(20)24)23-11-3-2-4-12-23/h5-8H,2-4,9-14H2,1H3,(H2,20,24)(H,21,26)/p+1