1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanone

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanone Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-(5-phenyl-2-tetrazolyl)ethanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone Formula: C24H25N6O+ MolecularWeight: 413.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CN4N=C(N=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CN4N=C(N=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O/c31-23(18-30-26-24(25-27-30)20-8-2-1-3-9-20)29-15-13-28(14-16-29)17-21-11-6-10-19-7-4-5-12-22(19)21/h1-12H,13-18H2/p+1