2-[2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)CSCC3=C(ON=C3C)C

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)CSCC3=C(ON=C3C)C

InChI

InChI=1S/C21H29N5O2S/c1-5-25(6-2)11-12-26-19-10-8-7-9-18(19)22-21(26)23-20(27)14-29-13-17-15(3)24-28-16(17)4/h7-10H,5-6,11-14H2,1-4H3,(H,22,23,27)/p+1