N2-(4-methoxyphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(4-methoxyphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(4-methoxyphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-methoxyphenyl)-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-methoxyphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-s-triazin-2-yl]-(4-methoxyphenyl)amine Formula: C21H26N7O+ MolecularWeight: 392.47744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N7O/c1-29-18-9-7-16(8-10-18)23-21-25-19(24-20(22)26-21)15-27-11-13-28(14-12-27)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H3,22,23,24,25,26)/p+1