N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C16H26N3O5S+ MolecularWeight: 372.45974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)OC

InChI

InChI=1S/C16H25N3O5S/c1-23-13-5-6-14(15(11-13)24-2)17-16(20)12-18-7-4-8-19(10-9-18)25(3,21)22/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,20)/p+1