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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-15-4-2-5-16(14-15)20(26)25(9-8-24-10-12-27-13-11-24)21-23-19-17(22)6-3-7-18(19)28-21/h2-7,14H,8-13H2,1H3/p+1