N-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[3-oxo-3-[2-(1-piperidin-1-iumyl)ethylamino]propyl]-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-phenethyl-pyrazinamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C23H31N5O2/c29-22(26-13-18-27-14-5-2-6-15-27)10-17-28(16-9-20-7-3-1-4-8-20)23(30)21-19-24-11-12-25-21/h1,3-4,7-8,11-12,19H,2,5-6,9-10,13-18H2,(H,26,29)/p+1