3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylate CAS Name: 3-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]pyrazinate Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)[O-]

InChI

InChI=1S/C17H19N5O3/c1-21-8-10-22(11-9-21)13-4-2-12(3-5-13)20-16(23)14-15(17(24)25)19-7-6-18-14/h2-7H,8-11H2,1H3,(H,20,23)(H,24,25)