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

Systemtic Name: 1-[(4-ethoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(4-ethoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(4-ethoxyanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-ethoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-(p-phenetylthiocarbamoyl)isonipecotamide Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C20H30N4O2S/c1-2-26-17-8-6-16(7-9-17)22-19(27)23-14-10-20(11-15-23,18(21)25)24-12-4-3-5-13-24/h6-9H,2-5,10-15H2,1H3,(H2,21,25)(H,22,27)/p+1