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

Systemtic Name: 2-[(E)-2-phenylethenyl]-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(E)-styryl]oxazole-4-carbonitrile CAS Name: 2-[(E)-2-phenylethenyl]-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(E)-styryl]oxazole-4-carbonitrile Formula: C23H23N4O+ MolecularWeight: 371.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)C=CC4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O/c24-17-21-23(28-22(25-21)12-11-19-7-3-1-4-8-19)27-15-13-26(14-16-27)18-20-9-5-2-6-10-20/h1-12H,13-16,18H2/p+1/b12-11+