1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-(2-indan-5-yloxyethyl)piperazine-1,4-diium CAS Name: 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(2-indan-5-yloxyethyl)piperazine-1,4-diium Formula: C22H30N2O+2 MolecularWeight: 338.4864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCC[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OCC[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N2O/c1-2-5-19(6-3-1)18-24-13-11-23(12-14-24)15-16-25-22-10-9-20-7-4-8-21(20)17-22/h1-3,5-6,9-10,17H,4,7-8,11-16,18H2/p+2