3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenylmethoxy-benzenecarbothioamide

Systemtic Name: 3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenylmethoxy-benzenecarbothioamide Openeye Name: 4-benzyloxy-3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzenecarbothioamide CAS Name: 3-methoxy-N-[3-(4-morpholin-4-iumyl)propyl]-4-phenylmethoxybenzenecarbothioamide IUPAC Name: 3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenylmethoxybenzenecarbothioamide Traditional Name: 4-benzoxy-3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)thiobenzamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)NCCC[NH+]2CCOCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)NCCC[NH+]2CCOCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-25-21-16-19(8-9-20(21)27-17-18-6-3-2-4-7-18)22(28)23-10-5-11-24-12-14-26-15-13-24/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,23,28)/p+1