4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C18H27Cl2N4O2+ MolecularWeight: 402.33858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H26Cl2N4O2/c1-18(2,3)22-16(25)12-23-7-4-8-24(10-9-23)17(26)21-13-5-6-14(19)15(20)11-13/h5-6,11H,4,7-10,12H2,1-3H3,(H,21,26)(H,22,25)/p+1