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

Systemtic Name: 4-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[[4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde Formula: C15H19ClN7O+ MolecularWeight: 348.81066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)C=O

InChI

InChI=1S/C15H18ClN7O/c16-11-1-3-12(4-2-11)18-15-20-13(19-14(17)21-15)9-22-5-7-23(10-24)8-6-22/h1-4,10H,5-9H2,(H3,17,18,19,20,21)/p+1