3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethylcarbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethylcarbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[2-(4-benzylpiperazin-1-ium-1-yl)ethylcarbamoyl]pyrazine-2-carboxylate CAS Name: 3-[oxo-[2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethylamino]methyl]-2-pyrazinecarboxylate IUPAC Name: 3-[2-(4-benzylpiperazin-1-ium-1-yl)ethylcarbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[2-(4-benzylpiperazin-1-ium-1-yl)ethylcarbamoyl]pyrazinate Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=NC=CN=C2C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(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)