[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-phenylmethoxyphenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-phenylmethoxyphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-benzyloxyphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(3-phenylmethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-phenylmethoxyphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-benzoxyphenyl)methanone Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c30-26(21-9-6-10-22(17-21)31-19-20-7-2-1-3-8-20)29-15-13-28(14-16-29)18-25-27-23-11-4-5-12-24(23)32-25/h1-12,17H,13-16,18-19H2/p+1