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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-17-6-4-7-18(16-17)21(26)25(11-5-10-24-12-14-27-15-13-24)22-23-19-8-2-3-9-20(19)28-22/h2-4,6-9,16H,5,10-15H2,1H3/p+1