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

Systemtic Name: 3-[[1-(phenylmethyl)pyrrolidin-2-yl]methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole Openeye Name: 3-[(1-benzylpyrrolidin-2-yl)methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole CAS Name: 3-[[1-(phenylmethyl)-2-pyrrolidinyl]methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole IUPAC Name: 3-[(1-benzylpyrrolidin-2-yl)methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole Traditional Name: 3-[(1-benzylpyrrolidin-2-yl)methyl]-5-(1H-1,2,4-triazol-4-ium-4-yl)-1H-indole Formula: C22H24N5+ MolecularWeight: 358.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)[N+]5=CNN=C5

Isomeric SMILES

C1CC(N(C1)CC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)[N+]5=CNN=C5

InChI

InChI=1S/C22H23N5/c1-2-5-17(6-3-1)14-26-10-4-7-19(26)11-18-13-23-22-9-8-20(12-21(18)22)27-15-24-25-16-27/h1-3,5-6,8-9,12-13,15-16,19,23H,4,7,10-11,14H2/p+1