3-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)carbonylpyrazine-2-carboxylate

Systemtic Name: 3-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)carbonylpyrazine-2-carboxylate Openeye Name: 3-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidine-1-carbonyl)pyrazine-2-carboxylate CAS Name: 3-[[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidinyl]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)pyrazine-2-carboxylate Traditional Name: 3-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidine-1-carbonyl)pyrazinate Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=NC=CN=C3C(=O)[O-])C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=NC=CN=C3C(=O)[O-])C(=O)N

InChI

InChI=1S/C17H23N5O4/c18-16(26)17(22-8-2-1-3-9-22)4-10-21(11-5-17)14(23)12-13(15(24)25)20-7-6-19-12/h6-7H,1-5,8-11H2,(H2,18,26)(H,24,25)