N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-indan-5-yl-acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-indan-5-yl-acetamide Formula: C22H29N3O+2 MolecularWeight: 351.48516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O/c26-22(23-21-10-9-19-7-4-8-20(19)15-21)17-25-13-11-24(12-14-25)16-18-5-2-1-3-6-18/h1-3,5-6,9-10,15H,4,7-8,11-14,16-17H2,(H,23,26)/p+2