1-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4O2S/c1-13-19(15(3)26)14(2)22-20(13)21(27)25-10-8-24(9-11-25)12-18-23-16-6-4-5-7-17(16)28-18/h4-7,22H,8-12H2,1-3H3/p+1