azanium 5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-benzoate

Systemtic Name: azanium 5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-benzoate Openeye Name: ammonium 5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-benzoate CAS Name: ammonium 5-[4-(2-methoxyphenyl)-1-piperazinyl]-2-nitrobenzoate IUPAC Name: azanium 5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitrobenzoate Traditional Name: ammonium 5-[4-(2-methoxyphenyl)piperazino]-2-nitro-benzoate Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)[O-].[NH4+]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)[O-].[NH4+]

InChI

InChI=1S/C18H19N3O5.H3N/c1-26-17-5-3-2-4-16(17)20-10-8-19(9-11-20)13-6-7-15(21(24)25)14(12-13)18(22)23;/h2-7,12H,8-11H2,1H3,(H,22,23);1H3