1-(5-methoxy-2,6-dinitro-pyridin-3-yl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-methoxy-2,6-dinitro-pyridin-3-yl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(5-methoxy-2,6-dinitro-3-pyridyl)piperazin-1-ium CAS Name: 1-(5-methoxy-2,6-dinitro-3-pyridinyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(5-methoxy-2,6-dinitropyridin-3-yl)piperazin-1-ium Traditional Name: 1-benzyl-4-(5-methoxy-2,6-dinitro-3-pyridyl)piperazin-1-ium Formula: C17H20N5O5+ MolecularWeight: 374.3712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C(=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(N=C(C(=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O5/c1-27-15-11-14(16(21(23)24)18-17(15)22(25)26)20-9-7-19(8-10-20)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3/p+1