N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H22N5O+ MolecularWeight: 348.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=C(C=C2)N3C=NC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=CC=C(C=C2)N3C=NC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O/c26-20(17-6-8-19(9-7-17)25-15-21-14-22-25)23-18-10-11-24(13-18)12-16-4-2-1-3-5-16/h1-9,14-15,18H,10-13H2,(H,23,26)/p+1/t18-/m1/s1