ethanedioic acid; 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-1-benzothiophen-3-amine

Systemtic Name: ethanedioic acid; 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-1-benzothiophen-3-amine Openeye Name: 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]benzothiophen-3-amine; oxalic acid CAS Name: 2-[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]-1-benzothiophen-3-amine; oxalic acid IUPAC Name: 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-1-benzothiophen-3-amine; oxalic acid Traditional Name: [2-[3-methoxy-4-(pyrrolidinomethyl)phenyl]benzothiophen-3-yl]amine; oxalic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=CC=CC=C3S2)N)CN4CCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=CC=CC=C3S2)N)CN4CCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2OS.C2H2O4/c1-23-17-12-14(8-9-15(17)13-22-10-4-5-11-22)20-19(21)16-6-2-3-7-18(16)24-20;3-1(4)2(5)6/h2-3,6-9,12H,4-5,10-11,13,21H2,1H3;(H,3,4)(H,5,6)