[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C24H24N5OS+ MolecularWeight: 430.54526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H23N5OS/c30-24(29-16-14-28(15-17-29)13-10-18-6-2-1-3-7-18)22-21(25-11-12-26-22)23-27-19-8-4-5-9-20(19)31-23/h1-9,11-12H,10,13-17H2/p+1