1-(5-methoxy-2,4-dinitro-phenyl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-methoxy-2,4-dinitro-phenyl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(5-methoxy-2,4-dinitro-phenyl)piperazin-1-ium CAS Name: 1-(5-methoxy-2,4-dinitrophenyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(5-methoxy-2,4-dinitrophenyl)piperazin-1-ium Traditional Name: 1-benzyl-4-(5-methoxy-2,4-dinitro-phenyl)piperazin-1-ium Formula: C18H21N4O5+ MolecularWeight: 373.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5/c1-27-18-12-15(16(21(23)24)11-17(18)22(25)26)20-9-7-19(8-10-20)13-14-5-3-2-4-6-14/h2-6,11-12H,7-10,13H2,1H3/p+1