6-[(4-carbamimidoylphenyl)methoxy]-N-hexyl-2-oxidanidyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-ium-2-carboxamide

Systemtic Name: 6-[(4-carbamimidoylphenyl)methoxy]-N-hexyl-2-oxidanidyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-ium-2-carboxamide Openeye Name: 6-[(4-carbamimidoylphenyl)methoxy]-N-hexyl-2-oxido-1-oxo-3,4-dihydroisoquinolin-2-ium-2-carboxamide CAS Name: 6-[(4-carbamimidoylphenyl)methoxy]-N-hexyl-2-oxido-1-oxo-3,4-dihydroisoquinolin-2-ium-2-carboxamide IUPAC Name: 6-[(4-carbamimidoylphenyl)methoxy]-N-hexyl-2-oxido-1-oxo-3,4-dihydroisoquinolin-2-ium-2-carboxamide Traditional Name: 6-(4-amidinobenzyl)oxy-N-hexyl-1-keto-2-oxido-3,4-dihydroisoquinolin-2-ium-2-carboxamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)[N+]1(CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)[O-]

Isomeric SMILES

CCCCCCNC(=O)[N+]1(CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)[O-]

InChI

InChI=1S/C24H30N4O4/c1-2-3-4-5-13-27-24(30)28(31)14-12-19-15-20(10-11-21(19)23(28)29)32-16-17-6-8-18(9-7-17)22(25)26/h6-11,15H,2-5,12-14,16H2,1H3,(H3,25,26)(H,27,30)