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

Systemtic Name: N2-(4-ethylphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(4-ethylphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-ethylphenyl)-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-ethylphenyl)-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]-(4-ethylphenyl)amine Formula: C17H26N7+ MolecularWeight: 328.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CC[NH+](CC3)C

InChI

InChI=1S/C17H25N7/c1-3-13-4-6-14(7-5-13)19-17-21-15(20-16(18)22-17)12-24-10-8-23(2)9-11-24/h4-7H,3,8-12H2,1-2H3,(H3,18,19,20,21,22)/p+1