N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)thiocarbamoyl]cyclohexanecarboxamide Formula: C20H30N3OS+ MolecularWeight: 360.5367

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3OS/c24-19(17-9-5-2-6-10-17)22-20(25)21-18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H2,21,22,24,25)/p+1