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

Systemtic Name: N-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-(isopentylamino)-3-oxo-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide CAS Name: N-[3-(3-methylbutylamino)-3-oxopropyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-(isoamylamino)-3-keto-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazinamide Formula: C19H32N5O3+ MolecularWeight: 378.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N5O3/c1-16(2)3-5-22-18(25)4-8-24(10-9-23-11-13-27-14-12-23)19(26)17-15-20-6-7-21-17/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,22,25)/p+1