3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-tert-butyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-tert-butyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-tert-butyl-2H-1,2,4-triazin-5-one CAS Name: 3-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-tert-butyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-tert-butyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-tert-butyl-2H-1,2,4-triazin-5-one Formula: C18H27N6O+ MolecularWeight: 343.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=NC1=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

Isomeric SMILES

CC(C)(C)C1=NNC(=NC1=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C18H26N6O/c1-18(2,3)15-16(25)20-17(22-21-15)24-10-8-23(9-11-24)12-13-4-6-14(19)7-5-13/h4-7H,8-12,19H2,1-3H3,(H,20,22,25)/p+1