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

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2/c1-18(2,3)20-16(23)14-21-10-7-11-22(13-12-21)17(24)19-15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3,(H,19,24)(H,20,23)/p+1