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

Systemtic Name: 1-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C16H21ClN7O+ MolecularWeight: 362.83724

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H20ClN7O/c17-11-1-3-12(4-2-11)20-16-22-13(21-15(19)23-16)9-24-7-5-10(6-8-24)14(18)25/h1-4,10H,5-9H2,(H2,18,25)(H3,19,20,21,22,23)/p+1