2-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C15H24N5O3+ MolecularWeight: 322.38276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O3/c1-12(2)17-15(21)11-18-6-3-7-19(9-8-18)14-5-4-13(10-16-14)20(22)23/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,17,21)/p+1