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

Systemtic Name: 1-[[4-azanyl-6-[(3-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-amino-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-amino-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-amino-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-amino-6-(m-anisidino)-s-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C17H24N7O2+ MolecularWeight: 358.41816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7O2/c1-26-13-4-2-3-12(9-13)20-17-22-14(21-16(19)23-17)10-24-7-5-11(6-8-24)15(18)25/h2-4,9,11H,5-8,10H2,1H3,(H2,18,25)(H3,19,20,21,22,23)/p+1