3-azanyl-5-bromanyl-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiophene-2-carboxamide

Systemtic Name: 3-azanyl-5-bromanyl-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiophene-2-carboxamide Openeye Name: 3-amino-5-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiophene-2-carboxamide CAS Name: 3-amino-5-bromo-N-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-thiophenecarboxamide IUPAC Name: 3-amino-5-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiophene-2-carboxamide Traditional Name: 3-amino-5-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiophene-2-carboxamide Formula: C18H23BrN3O3S+ MolecularWeight: 441.36252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(C=C(S2)Br)N)OCC[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(C=C(S2)Br)N)OCC[NH+]3CCCC3

InChI

InChI=1S/C18H22BrN3O3S/c1-24-15-10-12(21-18(23)17-13(20)11-16(19)26-17)4-5-14(15)25-9-8-22-6-2-3-7-22/h4-5,10-11H,2-3,6-9,20H2,1H3,(H,21,23)/p+1