1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-indan-5-yl-butane-1,4-dione CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-indan-5-yl-butane-1,4-dione Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2/c27-23(22-10-9-20-7-4-8-21(20)17-22)11-12-24(28)26-15-13-25(14-16-26)18-19-5-2-1-3-6-19/h1-3,5-6,9-10,17H,4,7-8,11-16,18H2/p+1