3,7-bis(chloranyl)-6-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,7-bis(chloranyl)-6-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,7-dichloro-6-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 3,7-dichloro-6-methoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,7-dichloro-6-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,7-dichloro-6-methoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzothiophene-2-carboxamide Formula: C22H23Cl2N2O2S+ MolecularWeight: 450.40122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O2S/c1-28-17-9-8-16-18(23)21(29-20(16)19(17)24)22(27)25-12-14-6-2-3-7-15(14)13-26-10-4-5-11-26/h2-3,6-9H,4-5,10-13H2,1H3,(H,25,27)/p+1