N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)-2-furamide Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C[NH+]4CCCC4

InChI

InChI=1S/C18H19N3O3S/c1-23-12-4-6-14-16(10-12)25-18(19-14)20-17(22)15-7-5-13(24-15)11-21-8-2-3-9-21/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,20,22)/p+1