3-chloranyl-N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyleneamino]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(Z)-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzylidene]amino]benzothiophene-2-carboxamide Formula: C22H23ClN3O3S+ MolecularWeight: 444.95432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C[NH+]4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C[NH+]4CCOCC4

InChI

InChI=1S/C22H22ClN3O3S/c1-28-18-7-6-15(12-16(18)14-26-8-10-29-11-9-26)13-24-25-22(27)21-20(23)17-4-2-3-5-19(17)30-21/h2-7,12-13H,8-11,14H2,1H3,(H,25,27)/p+1/b24-13-