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

Systemtic Name: N-tert-butyl-2-[4-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-morpholinoanilino)-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(4-morpholinoanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H38N5O3+ MolecularWeight: 432.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C23H37N5O3/c1-23(2,3)25-22(30)18-27-10-4-9-26(11-12-27)17-21(29)24-19-5-7-20(8-6-19)28-13-15-31-16-14-28/h5-8H,4,9-18H2,1-3H3,(H,24,29)(H,25,30)/p+1