2-acetamido-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-acetamido-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-acetamido-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-acetamido-N-[4-(4-morpholin-4-iumylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-acetamido-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-acetamido-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C21H22N4O3S/c1-14(26)22-21-24-18-7-4-16(12-19(18)29-21)20(27)23-17-5-2-15(3-6-17)13-25-8-10-28-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,27)(H,22,24,26)/p+1