(4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-4H-pyrazol-3-one Openeye Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-4H-pyrazol-3-one CAS Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-[2-(1-piperazin-4-iumyl)ethylimino]ethyl]-4H-pyrazol-3-one IUPAC Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-4H-pyrazol-3-one Traditional Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-2-pyrazolin-3-one Formula: C19H25N6OS+ MolecularWeight: 385.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=NCCN2CC[NH2+]CC2)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C(=NCCN2CC[NH2+]CC2)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H24N6OS/c1-13(21-9-12-24-10-7-20-8-11-24)17-14(2)23-25(18(17)26)19-22-15-5-3-4-6-16(15)27-19/h3-6,17,20H,7-12H2,1-2H3/p+1/t17-/m0/s1