N-[3-oxidanylidene-3-(propylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-(propylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-oxo-3-(propylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide CAS Name: N-[3-oxo-3-(propylamino)propyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-oxo-3-(propylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(propylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazinamide Formula: C18H30N5O2+ MolecularWeight: 348.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCN(CC[NH+]1CCCCC1)C(=O)C2=NC=CN=C2

Isomeric SMILES

CCCNC(=O)CCN(CC[NH+]1CCCCC1)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C18H29N5O2/c1-2-7-21-17(24)6-12-23(14-13-22-10-4-3-5-11-22)18(25)16-15-19-8-9-20-16/h8-9,15H,2-7,10-14H2,1H3,(H,21,24)/p+1