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

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-(p-tolyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-(p-tolyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H30N4O2/c1-15-6-8-16(9-7-15)20-18(25)23-11-5-10-22(12-13-23)14-17(24)21-19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,25)(H,21,24)/p+1