2-butyl-N-[4-(2-butyltridecanoylamino)-2H-pyrazin-4-ium-1-yl]tridecanamide

Systemtic Name: 2-butyl-N-[4-(2-butyltridecanoylamino)-2H-pyrazin-4-ium-1-yl]tridecanamide Openeye Name: 2-butyl-N-[4-(2-butyltridecanoylamino)-2H-pyrazin-4-ium-1-yl]tridecanamide CAS Name: 2-butyl-N-[4-[(2-butyl-1-oxotridecyl)amino]-2H-pyrazin-4-ium-1-yl]tridecanamide IUPAC Name: 2-butyl-N-[4-(2-butyltridecanoylamino)-2H-pyrazin-4-ium-1-yl]tridecanamide Traditional Name: 2-butyl-N-[4-(2-butyltridecanoylamino)-2H-pyrazin-4-ium-1-yl]tridecanamide Formula: C38H73N4O2+ MolecularWeight: 618.01182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCC)C(=O)NN1CC=[N+](C=C1)NC(=O)C(CCCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CCCC)C(=O)NN1CC=[N+](C=C1)NC(=O)C(CCCC)CCCCCCCCCCC

InChI

InChI=1S/C38H72N4O2/c1-5-9-13-15-17-19-21-23-25-29-35(27-11-7-3)37(43)39-41-31-33-42(34-32-41)40-38(44)36(28-12-8-4)30-26-24-22-20-18-16-14-10-6-2/h31-33,35-36H,5-30,34H2,1-4H3,(H-,39,40,43,44)/p+1