N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O/c28-22(20-10-8-18(9-11-20)15-27-17-23-16-25-27)24-14-21(26-12-4-5-13-26)19-6-2-1-3-7-19/h1-3,6-11,16-17,21H,4-5,12-15H2,(H,24,28)/p+1/t21-/m0/s1