N-(3-oxidanylpropyl)-1-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(3-oxidanylpropyl)-1-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-hydroxypropyl)-1-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-[1-[(3R)-3-phenylbutyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-1-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H32N5O2+ MolecularWeight: 386.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC(CC1)N2C=C(N=N2)C(=O)NCCCO)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC[NH+]1CCC(CC1)N2C=C(N=N2)C(=O)NCCCO)C3=CC=CC=C3

InChI

InChI=1S/C21H31N5O2/c1-17(18-6-3-2-4-7-18)8-12-25-13-9-19(10-14-25)26-16-20(23-24-26)21(28)22-11-5-15-27/h2-4,6-7,16-17,19,27H,5,8-15H2,1H3,(H,22,28)/p+1/t17-/m1/s1