N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c1-16-8-9-18(27-2)19-20(16)29-22(23-19)25(11-10-24-12-14-28-15-13-24)21(26)17-6-4-3-5-7-17/h3-9H,10-15H2,1-2H3/p+1