4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[2-(dimethylamino)-2-oxo-ethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-[2-(dimethylamino)-2-keto-ethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C17H26N4O3/c1-19(2)16(22)13-20-9-6-10-21(12-11-20)17(23)18-14-7-4-5-8-15(14)24-3/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,23)/p+1