3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethylcarbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethylcarbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethylcarbamoyl]pyrazine-2-carboxylate CAS Name: 3-[oxo-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethylamino]methyl]-2-pyrazinecarboxylate IUPAC Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethylcarbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethylcarbamoyl]pyrazinate Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCNC(=O)C2=NC=CN=C2C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCNC(=O)C2=NC=CN=C2C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3/c25-18(16-17(19(26)27)21-7-6-20-16)22-8-9-23-10-12-24(13-11-23)14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,22,25)(H,26,27)/p+1