[1-(1,3-benzothiazol-2-yl)-5-propan-2-yl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(1,3-benzothiazol-2-yl)-5-propan-2-yl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(1,3-benzothiazol-2-yl)-5-isopropyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(1,3-benzothiazol-2-yl)-5-propan-2-yl-3-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(1,3-benzothiazol-2-yl)-5-propan-2-ylpyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(1,3-benzothiazol-2-yl)-5-isopropyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H25N5OS/c1-4-23-9-11-24(12-10-23)19(26)16-13-17(14(2)3)25(22-16)20-21-15-7-5-6-8-18(15)27-20/h5-8,13-14H,4,9-12H2,1-3H3/p+1