2,4-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,4-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,4-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,4-dimethyl-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,4-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C22H27N3OS/c1-16-6-11-20(17(2)14-16)21(26)24-22(27)23-19-9-7-18(8-10-19)15-25-12-4-3-5-13-25/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,23,24,26,27)/p+1