2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3/c24-18(20-12-15-4-2-1-3-5-15)14-21-8-10-22(11-9-21)17-7-6-16(13-19-17)23(25)26/h1-7,13H,8-12,14H2,(H,20,24)/p+1