N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-1-(3-phenylpropyl)triazole-4-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-phenylethyl]-1-(3-phenylpropyl)-4-triazolecarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-1-(3-phenylpropyl)triazole-4-carboxamide Formula: C26H34N5O+ MolecularWeight: 432.58106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5O/c32-26(24-21-31(29-28-24)19-11-14-22-12-5-3-6-13-22)27-20-25(23-15-7-4-8-16-23)30-17-9-1-2-10-18-30/h3-8,12-13,15-16,21,25H,1-2,9-11,14,17-20H2,(H,27,32)/p+1/t25-/m0/s1