N,N-diethyl-2-[4-(4-methyl-3-nitro-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-(4-methyl-3-nitro-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-(4-methyl-3-nitro-benzoyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-(4-methyl-3-nitro-benzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H29N4O4+ MolecularWeight: 377.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O4/c1-4-21(5-2)18(24)14-20-9-6-10-22(12-11-20)19(25)16-8-7-15(3)17(13-16)23(26)27/h7-8,13H,4-6,9-12,14H2,1-3H3/p+1