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

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropylamino)-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one Openeye Name: 6-[(4-isopropylphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propylamino]-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropylamino)-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-isopropylbenzyl)-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2/c1-15(2)17-6-4-16(5-7-17)14-18-19(26)22-20(24-23-18)21-8-3-9-25-10-12-27-13-11-25/h4-7,15H,3,8-14H2,1-2H3,(H2,21,22,24,26)/p+1