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

Systemtic Name: N2-(4-ethoxyphenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(4-ethoxyphenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-ethoxyphenyl)-6-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-ethoxyphenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-s-triazin-2-yl]-p-phenetyl-amine Formula: C18H28N7O+ MolecularWeight: 358.46122

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OCC)N

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OCC)N

InChI

InChI=1S/C18H27N7O/c1-3-24-9-11-25(12-10-24)13-16-21-17(19)23-18(22-16)20-14-5-7-15(8-6-14)26-4-2/h5-8H,3-4,9-13H2,1-2H3,(H3,19,20,21,22,23)/p+1