N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methoxyphenoxy)ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methoxyphenoxy)ethanamide Openeye Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methoxyphenoxy)acetamide CAS Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methoxyphenoxy)acetamide IUPAC Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methoxyphenoxy)acetamide Traditional Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methoxyphenoxy)acetamide Formula: C18H18ClN2O3S+ MolecularWeight: 377.86512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=[N+]2C)NC(=O)COC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=[N+]2C)NC(=O)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17ClN2O3S/c1-11-4-9-14(19)17-16(11)21(2)18(25-17)20-15(22)10-24-13-7-5-12(23-3)6-8-13/h4-9H,10H2,1-3H3/p+1