N-[3-(butylamino)-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-(butylamino)-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-(butylamino)-3-oxo-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide CAS Name: N-[3-(butylamino)-3-oxopropyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(butylamino)-3-oxopropyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-(butylamino)-3-keto-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazinamide Formula: C18H30N5O3+ MolecularWeight: 364.4625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCN(CC[NH+]1CCOCC1)C(=O)C2=NC=CN=C2

Isomeric SMILES

CCCCNC(=O)CCN(CC[NH+]1CCOCC1)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C18H29N5O3/c1-2-3-5-21-17(24)4-8-23(10-9-22-11-13-26-14-12-22)18(25)16-15-19-6-7-20-16/h6-7,15H,2-5,8-14H2,1H3,(H,21,24)/p+1