ethyl 4-[[4-azanyl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[4-azanyl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-amino-6-(1-naphthylamino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-amino-6-(1-naphthalenylamino)-1,3,5-triazin-2-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[4-amino-6-(1-naphthylamino)-s-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H26N7O2+ MolecularWeight: 408.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C21H25N7O2/c1-2-30-21(29)28-12-10-27(11-13-28)14-18-24-19(22)26-20(25-18)23-17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,2,10-14H2,1H3,(H3,22,23,24,25,26)/p+1