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

Systemtic Name: 6-[(4-chlorophenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one Openeye Name: 6-[(4-chlorophenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one CAS Name: 6-[(4-chlorophenyl)methyl]-3-[3-(4-morpholin-4-iumyl)propylamino]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(4-chlorophenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-chlorobenzyl)-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one Formula: C17H23ClN5O2+ MolecularWeight: 364.84982

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN5O2/c18-14-4-2-13(3-5-14)12-15-16(24)20-17(22-21-15)19-6-1-7-23-8-10-25-11-9-23/h2-5H,1,6-12H2,(H2,19,20,22,24)/p+1