1,2-dihydroacenaphthylen-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: 1,2-dihydroacenaphthylen-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: 1,2-dihydroacenaphthylen-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: 1,2-dihydroacenaphthylen-5-yl-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: 1,2-dihydroacenaphthylen-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: acenaphthen-5-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C25H27N2O+ MolecularWeight: 371.49468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)N4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)N4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H26N2O/c28-25(23-12-11-21-10-9-20-7-4-8-22(23)24(20)21)27-17-15-26(16-18-27)14-13-19-5-2-1-3-6-19/h1-8,11-12H,9-10,13-18H2/p+1