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

Systemtic Name: N-tert-butyl-2-[4-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(1-naphthylamino)-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(1-naphthalenylamino)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(1-naphthylamino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H32N4O2/c1-23(2,3)25-22(29)17-27-13-7-12-26(14-15-27)16-21(28)24-20-11-6-9-18-8-4-5-10-19(18)20/h4-6,8-11H,7,12-17H2,1-3H3,(H,24,28)(H,25,29)/p+1