methyl 3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-nitro-benzoate Openeye Name: methyl 3-(4-methylpiperazin-4-ium-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(4-methylpiperazin-4-ium-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C14H18N3O5+ MolecularWeight: 308.30982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H17N3O5/c1-15-3-5-16(6-4-15)13(18)10-7-11(14(19)22-2)9-12(8-10)17(20)21/h7-9H,3-6H2,1-2H3/p+1