1,3-benzothiazol-2-ylmethyl-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C23H31N5OS+2 MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H29N5OS/c1-3-27-12-14-28(15-13-27)19-10-8-18(9-11-19)24-22(29)16-26(2)17-23-25-20-6-4-5-7-21(20)30-23/h4-11H,3,12-17H2,1-2H3,(H,24,29)/p+2