3-(1,3-benzothiazol-2-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22ClN3OS/c22-17-5-3-4-16(14-17)15-24-10-12-25(13-11-24)21(26)9-8-20-23-18-6-1-2-7-19(18)27-20/h1-7,14H,8-13,15H2/p+1