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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S/c1-18-8-9-20(19(2)16-18)17-23(28)27(11-5-10-26-12-14-29-15-13-26)24-25-21-6-3-4-7-22(21)30-24/h3-4,6-9,16H,5,10-15,17H2,1-2H3/p+1