N-tert-butyl-2-[4-(3-methoxy-2-oxidanyl-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3-methoxy-2-oxidanyl-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2-hydroxy-3-methoxy-benzoyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2-hydroxy-3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2-hydroxy-3-methoxy-benzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4/c1-19(2,3)20-16(23)13-21-9-6-10-22(12-11-21)18(25)14-7-5-8-15(26-4)17(14)24/h5,7-8,24H,6,9-13H2,1-4H3,(H,20,23)/p+1