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

Systemtic Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-ethylacetamide IUPAC Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-ethyl-acetamide Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3CC2

Isomeric SMILES

CCNC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3CC2

InChI

InChI=1S/C19H27N3O3S/c1-2-20-19(23)15-21-10-5-11-22(13-12-21)26(24,25)18-9-8-16-6-3-4-7-17(16)14-18/h3-4,6-7,14H,2,5,8-13,15H2,1H3,(H,20,23)/p+1