1-[(4-methoxy-3-nitro-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-methoxy-3-nitro-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-methoxy-3-nitro-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-methoxy-3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-methoxy-3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-methoxy-3-nitro-benzyl)piperazin-4-ium Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O3/c1-18-12-3-2-10(8-11(12)15(16)17)9-14-6-4-13-5-7-14/h2-3,8,13H,4-7,9H2,1H3/p+1