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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C20H21N3O2S/c1-14-3-2-4-17-18(14)21-20(26-17)22-19(24)16-7-5-15(6-8-16)13-23-9-11-25-12-10-23/h2-8H,9-13H2,1H3,(H,21,22,24)/p+1