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

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

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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=C4Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CC=C4Cl

InChI

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