N2-(2-methoxy-5-methyl-phenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-methoxy-5-methyl-phenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-methoxy-5-methyl-phenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methoxy-5-methylphenyl)-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methoxy-5-methylphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-s-triazin-2-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C17H26N7O+ MolecularWeight: 344.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)CN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)CN3CC[NH+](CC3)C

InChI

InChI=1S/C17H25N7O/c1-12-4-5-14(25-3)13(10-12)19-17-21-15(20-16(18)22-17)11-24-8-6-23(2)7-9-24/h4-5,10H,6-9,11H2,1-3H3,(H3,18,19,20,21,22)/p+1