N-(2-hydroxyethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C(=O)NCCO)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C(=O)NCCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O2/c25-14-10-20-19(26)18-15-24(22-21-18)17-8-12-23(13-9-17)11-4-7-16-5-2-1-3-6-16/h1-3,5-6,15,17,25H,4,7-14H2,(H,20,26)/p+1