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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-16-6-5-9-18-19(16)22-21(27-18)24(11-10-23-12-14-26-15-13-23)20(25)17-7-3-2-4-8-17/h2-9H,10-15H2,1H3/p+1