3-[(1-phenethylpyrrolidin-2-yl)methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole

Systemtic Name: 3-[(1-phenethylpyrrolidin-2-yl)methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole Openeye Name: 3-[(1-phenethylpyrrolidin-2-yl)methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole CAS Name: 3-[(1-phenethyl-2-pyrrolidinyl)methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole IUPAC Name: 3-[(1-phenethylpyrrolidin-2-yl)methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole Traditional Name: 3-[(1-phenethylpyrrolidin-2-yl)methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole Formula: C23H26N5+ MolecularWeight: 372.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)[N+]5=CNN=C5

Isomeric SMILES

C1CC(N(C1)CCC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)[N+]5=CNN=C5

InChI

InChI=1S/C23H25N5/c1-2-5-18(6-3-1)10-12-27-11-4-7-20(27)13-19-15-24-23-9-8-21(14-22(19)23)28-16-25-26-17-28/h1-3,5-6,8-9,14-17,20,24H,4,7,10-13H2/p+1