(4-ethylpiperazin-4-ium-1-yl)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C18H20N4OS/c1-2-20-9-11-21(12-10-20)17(23)14-5-6-15-16(13-14)24-18(19-15)22-7-3-4-8-22/h3-8,13H,2,9-12H2,1H3/p+1