6-[(4-methylphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(4-methylphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropylamino)-6-(p-tolylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 6-[(4-methylphenyl)methyl]-3-[3-(4-morpholin-4-iumyl)propylamino]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(4-methylphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-methylbenzyl)-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NNC(=NC2=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NNC(=NC2=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25N5O2/c1-14-3-5-15(6-4-14)13-16-17(24)20-18(22-21-16)19-7-2-8-23-9-11-25-12-10-23/h3-6H,2,7-13H2,1H3,(H2,19,20,22,24)/p+1