N-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[(1S)-2-(1-imidazolyl)-1-phenylethyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C21H28N7O+ MolecularWeight: 394.49332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NC(CN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)N[C@H](CN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N7O/c29-21(20-16-28(25-24-20)14-13-26-10-5-2-6-11-26)23-19(15-27-12-9-22-17-27)18-7-3-1-4-8-18/h1,3-4,7-9,12,16-17,19H,2,5-6,10-11,13-15H2,(H,23,29)/p+1/t19-/m1/s1