N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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