[1-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[(3S)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]triazol-4-yl]-pyrrolidino-methanone Formula: C25H38N6O+2 MolecularWeight: 438.60882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN(N=N2)C3CCC[NH+](C3)C4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)C4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H36N6O/c32-25(29-13-4-5-14-29)24-20-31(27-26-24)23-9-6-15-30(19-23)22-11-17-28(18-12-22)16-10-21-7-2-1-3-8-21/h1-3,7-8,20,22-23H,4-6,9-19H2/p+2/t23-/m0/s1