N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-(2-morpholino-2-oxo-ethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-[2-(4-morpholinyl)-2-oxoethyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-(2-keto-2-morpholino-ethyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C22H34N4O3/c1-22(2,3)18-5-7-19(8-6-18)23-21(28)26-10-4-9-24(11-12-26)17-20(27)25-13-15-29-16-14-25/h5-8H,4,9-17H2,1-3H3,(H,23,28)/p+1