2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(C=CC=C4S3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(C=CC=C4S3)C)C

InChI

InChI=1S/C24H29N3O2S/c1-17-7-8-20(19(3)15-17)16-22(28)27(10-9-26-11-13-29-14-12-26)24-25-23-18(2)5-4-6-21(23)30-24/h4-8,15H,9-14,16H2,1-3H3/p+1