N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-(thiazol-4-ylmethoxy)benzamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-(thiazol-4-ylmethoxy)benzamide Formula: C28H29N4O2S+ MolecularWeight: 485.62046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OCC5=CSC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OCC5=CSC=N5

InChI

InChI=1S/C28H28N4O2S/c33-28(23-6-12-27(13-7-23)34-19-25-20-35-21-29-25)30-24-8-10-26(11-9-24)32-16-14-31(15-17-32)18-22-4-2-1-3-5-22/h1-13,20-21H,14-19H2,(H,30,33)/p+1