[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methanone IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C18H20N4O2S/c23-12-11-20-7-9-21(10-8-20)17(24)14-3-4-15-16(13-14)25-18(19-15)22-5-1-2-6-22/h1-6,13,23H,7-12H2/p+1