N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]valeramide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C[NH+]2CCOCC2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C[NH+]2CCOCC2

InChI

InChI=1S/C17H25N3O2S/c1-2-3-4-16(21)19-17(23)18-15-7-5-14(6-8-15)13-20-9-11-22-12-10-20/h5-8H,2-4,9-13H2,1H3,(H2,18,19,21,23)/p+1