ethanedioate; N-[3-methoxy-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine

Systemtic Name: ethanedioate; N-[3-methoxy-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[1-[(E)-cinnamyl]-3-methoxy-4-piperidyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate CAS Name: N-[3-methoxy-1-[(E)-3-phenylprop-2-enyl]-4-piperidinyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-[3-methoxy-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-[1-[(E)-cinnamyl]-3-methoxy-4-piperidyl]-methyl-amine; oxalate Formula: C25H27N3O5S-2 MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1OC)CC=CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C1CCN(CC1OC)C/C=C/C2=CC=CC=C2)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C23H27N3OS.C2H2O4/c1-25(23-24-19-12-6-7-13-22(19)28-23)20-14-16-26(17-21(20)27-2)15-8-11-18-9-4-3-5-10-18;3-1(4)2(5)6/h3-13,20-21H,14-17H2,1-2H3;(H,3,4)(H,5,6)/p-2/b11-8+;