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

Systemtic Name: 1-[[4-azanyl-6-[(2,3-dimethylphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-amino-6-(2,3-dimethylanilino)-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:

CC1=C(C(=CC=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCC(CC3)C(=O)N)C

InChI

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