2-[(4-bromanylphenoxy)methyl]-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-bromophenoxy)methyl]oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-bromophenoxy)methyl]oxazole-4-carbonitrile Formula: C22H22BrN4O2+ MolecularWeight: 454.33968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C22H21BrN4O2/c23-18-6-8-19(9-7-18)28-16-21-25-20(14-24)22(29-21)27-12-10-26(11-13-27)15-17-4-2-1-3-5-17/h1-9H,10-13,15-16H2/p+1