2-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1-[(2,5-dimethylphenyl)methyl]-2-imidazolyl]methyl-[oxo(thiophen-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[1-(2,5-dimethylbenzyl)imidazol-2-yl]methyl-(2-thenoyl)amino]ethyl-dimethyl-ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=CN=C2CN(CC[NH+](C)C)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=CN=C2CN(CC[NH+](C)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H28N4OS/c1-17-7-8-18(2)19(14-17)15-25-10-9-23-21(25)16-26(12-11-24(3)4)22(27)20-6-5-13-28-20/h5-10,13-14H,11-12,15-16H2,1-4H3/p+1