N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(3-phenylpropyl)triazole-4-carboxamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-(3-phenylpropyl)-4-triazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(3-phenylpropyl)triazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(3-phenylpropyl)triazole-4-carboxamide Formula: C23H28N5O+ MolecularWeight: 390.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c29-23(24-21-13-15-27(17-21)16-20-10-5-2-6-11-20)22-18-28(26-25-22)14-7-12-19-8-3-1-4-9-19/h1-6,8-11,18,21H,7,12-17H2,(H,24,29)/p+1/t21-/m0/s1