N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methyl-benzamide Openeye Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methyl-benzamide CAS Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]-4-methylbenzamide IUPAC Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methylbenzamide Traditional Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methyl-benzamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)C

InChI

InChI=1S/C23H28N4OS/c1-16-4-7-19(8-5-16)22(28)24-10-11-26-12-14-27(15-13-26)23-25-21-18(3)17(2)6-9-20(21)29-23/h4-9H,10-15H2,1-3H3,(H,24,28)/p+1