N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(naphthalen-1-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(naphthalen-1-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(1-naphthylmethyl)triazole-4-carboxamide CAS Name: N-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-1-(1-naphthalenylmethyl)-4-triazolecarboxamide IUPAC Name: N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide Traditional Name: N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(1-naphthylmethyl)triazole-4-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN(CCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N5O2/c1-25(10-5-11-26-12-14-29-15-13-26)22(28)21-17-27(24-23-21)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-4,6-9,17H,5,10-16H2,1H3/p+1