2-nitro-5-piperazin-4-ium-1-yl-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 2-nitro-5-piperazin-4-ium-1-yl-N-(pyridin-3-ylmethyl)aniline Openeye Name: 2-nitro-5-piperazin-4-ium-1-yl-N-(3-pyridylmethyl)aniline CAS Name: 2-nitro-5-(1-piperazin-4-iumyl)-N-(3-pyridinylmethyl)aniline IUPAC Name: 2-nitro-5-piperazin-4-ium-1-yl-N-(pyridin-3-ylmethyl)aniline Traditional Name: (2-nitro-5-piperazin-4-ium-1-yl-phenyl)-(3-pyridylmethyl)amine Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C16H19N5O2/c22-21(23)16-4-3-14(20-8-6-17-7-9-20)10-15(16)19-12-13-2-1-5-18-11-13/h1-5,10-11,17,19H,6-9,12H2/p+1