2,3-dihydro-1H-inden-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: 2,3-dihydro-1H-inden-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: indan-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: 2,3-dihydro-1H-inden-5-yl-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: 2,3-dihydro-1H-inden-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: indan-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O/c25-22(21-10-9-19-7-4-8-20(19)17-21)24-15-13-23(14-16-24)12-11-18-5-2-1-3-6-18/h1-3,5-6,9-10,17H,4,7-8,11-16H2/p+1