1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione Formula: C25H27N2O2+ MolecularWeight: 387.49408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2/c28-24(21-8-2-1-3-9-21)13-14-25(29)27-17-15-26(16-18-27)19-22-11-6-10-20-7-4-5-12-23(20)22/h1-12H,13-19H2/p+1