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

Systemtic Name: N-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]-1-(2-morpholin-4-ium-4-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]-1-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide CAS Name: N-[(1S)-2-(1-imidazolyl)-1-phenylethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide Traditional Name: N-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]-1-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide Formula: C20H26N7O2+ MolecularWeight: 396.46614

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C=C(N=N2)C(=O)NC(CN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN2C=C(N=N2)C(=O)N[C@H](CN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N7O2/c28-20(19-15-27(24-23-19)9-8-25-10-12-29-13-11-25)22-18(14-26-7-6-21-16-26)17-4-2-1-3-5-17/h1-7,15-16,18H,8-14H2,(H,22,28)/p+1/t18-/m1/s1