N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-3-oxidanylidene-propyl]-N-(2-methylpropyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-3-oxidanylidene-propyl]-N-(2-methylpropyl)pyrazine-2-carboxamide Openeye Name: N-isobutyl-N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-3-oxo-propyl]pyrazine-2-carboxamide CAS Name: N-[3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-3-oxopropyl]-N-(2-methylpropyl)-2-pyrazinecarboxamide IUPAC Name: N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide Traditional Name: N-isobutyl-N-[3-keto-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]propyl]pyrazinamide Formula: C21H36N5O2+ MolecularWeight: 390.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CCN(CC(C)C)C(=O)C2=NC=CN=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O2/c1-17(2)16-26(21(28)19-15-22-10-11-23-19)14-8-20(27)24-9-6-13-25-12-5-4-7-18(25)3/h10-11,15,17-18H,4-9,12-14,16H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1