2-[4-(4-iodophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(4-iodophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(4-iodobenzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(4-iodophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(4-iodobenzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(4-iodobenzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C16H23IN3O2+ MolecularWeight: 416.27719

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C16H22IN3O2/c1-18(2)15(21)12-19-8-3-9-20(11-10-19)16(22)13-4-6-14(17)7-5-13/h4-7H,3,8-12H2,1-2H3/p+1