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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)N3C=C(N=N3)C(=O)NCCO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)N3C=C(N=N3)C(=O)NCCO

InChI

InChI=1S/C19H27N5O2/c25-13-10-20-19(26)18-15-24(22-21-18)17-9-5-12-23(14-17)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,15,17,25H,4-5,8-14H2,(H,20,26)/p+1/t17-/m0/s1