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

Systemtic Name: N-[2-[(5-nitropyridin-2-yl)amino]ethyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]acetamide CAS Name: N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]acetamide Formula: C20H27N6O3+ MolecularWeight: 399.46678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H26N6O3/c27-20(22-9-8-21-19-7-6-18(14-23-19)26(28)29)16-25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,21,23)(H,22,27)/p+1