N-tert-butyl-2-[4-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(benzhydrylamino)-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[2-[(diphenylmethyl)amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: 2-[4-[2-(benzhydrylamino)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[2-(benzhydrylamino)-2-keto-ethyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C26H37N4O2+ MolecularWeight: 437.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H36N4O2/c1-26(2,3)28-24(32)20-30-16-10-15-29(17-18-30)19-23(31)27-25(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,25H,10,15-20H2,1-3H3,(H,27,31)(H,28,32)/p+1