5-azanyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide CAS Name: 5-amino-N-[3-(4-morpholin-4-iumyl)propyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide Traditional Name: 5-amino-1-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide Formula: C17H25N6O2+ MolecularWeight: 345.4194

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=C(N(N=N2)CC3=CC=CC=C3)N

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=C(N(N=N2)CC3=CC=CC=C3)N

InChI

InChI=1S/C17H24N6O2/c18-16-15(20-21-23(16)13-14-5-2-1-3-6-14)17(24)19-7-4-8-22-9-11-25-12-10-22/h1-3,5-6H,4,7-13,18H2,(H,19,24)/p+1