1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]piperidin-1-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]piperidin-1-ium Openeye Name: 1-indan-2-yl-4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]piperidin-1-ium CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(1-pyrrolidin-1-iumylmethyl)-1-triazolyl]piperidin-1-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]piperidin-1-ium Traditional Name: 1-indan-2-yl-4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]piperidin-1-ium Formula: C21H31N5+2 MolecularWeight: 353.50434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CN(N=N2)C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CN(N=N2)C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C21H29N5/c1-2-6-18-14-21(13-17(18)5-1)25-11-7-20(8-12-25)26-16-19(22-23-26)15-24-9-3-4-10-24/h1-2,5-6,16,20-21H,3-4,7-15H2/p+2