N-[4-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]phenyl]benzothiophene-2-carboxamide Formula: C23H22N3O2S2+ MolecularWeight: 436.56968

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O2S2/c27-22(21-13-17-3-1-2-4-20(17)30-21)24-18-7-5-16(6-8-18)23-25-19(15-29-23)14-26-9-11-28-12-10-26/h1-8,13,15H,9-12,14H2,(H,24,27)/p+1