N-(1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3,4-dimethyl-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-16-7-8-18(15-17(16)2)21(26)25(10-9-24-11-13-27-14-12-24)22-23-19-5-3-4-6-20(19)28-22/h3-8,15H,9-14H2,1-2H3/p+1