1-[[4-azanyl-6-[(4-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[4-azanyl-6-[(4-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-amino-6-(4-ethylanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-amino-6-(4-ethylanilino)-1,3,5-triazin-2-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-amino-6-(4-ethylanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-amino-6-(4-ethylanilino)-s-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C18H26N7O+ MolecularWeight: 356.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H25N7O/c1-2-12-3-5-14(6-4-12)21-18-23-15(22-17(20)24-18)11-25-9-7-13(8-10-25)16(19)26/h3-6,13H,2,7-11H2,1H3,(H2,19,26)(H3,20,21,22,23,24)/p+1