N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-chloranyl-benzamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-chloranyl-benzamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-2-chloro-benzamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-2-chlorobenzamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-2-chlorobenzamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-2-chloro-benzamide Formula: C22H24ClN4O2S+ MolecularWeight: 443.96956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCNC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCNC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H23ClN4O2S/c23-17-6-2-1-5-16(17)22(29)24-10-9-21(28)27-13-11-26(12-14-27)15-20-25-18-7-3-4-8-19(18)30-20/h1-8H,9-15H2,(H,24,29)/p+1