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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-(naphthalen-1-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-(1-naphthylmethyl)triazole-4-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-1-(1-naphthalenylmethyl)-4-triazolecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-(1-naphthylmethyl)triazole-4-carboxamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CN(N=N2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CN(N=N2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H25N5O2/c27-21(22-9-4-10-25-11-13-28-14-12-25)20-16-26(24-23-20)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-3,5-8,16H,4,9-15H2,(H,22,27)/p+1