1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C29H29N2O+ MolecularWeight: 421.55336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O/c32-29(28(24-11-3-1-4-12-24)25-13-5-2-6-14-25)31-20-18-30(19-21-31)22-26-16-9-15-23-10-7-8-17-27(23)26/h1-17,28H,18-22H2/p+1