N-[2-(3-methylphenoxy)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: 2-(4-mesyl-1,4-diazepan-1-ium-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide Formula: C17H28N3O4S+ MolecularWeight: 370.48692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O4S/c1-15-5-3-6-16(13-15)24-12-7-18-17(21)14-19-8-4-9-20(11-10-19)25(2,22)23/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,18,21)/p+1