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

Systemtic Name: ethanedioate; N-methyl-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[1-[(E)-cinnamyl]-3-piperidyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate CAS Name: N-methyl-N-[1-[(E)-3-phenylprop-2-enyl]-3-piperidinyl]-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-methyl-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-[1-[(E)-cinnamyl]-3-piperidyl]-methyl-amine; oxalate Formula: C24H25N3O4S-2 MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)CC=CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C1CCCN(C1)C/C=C/C2=CC=CC=C2)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C22H25N3S.C2H2O4/c1-24(22-23-20-13-5-6-14-21(20)26-22)19-12-8-16-25(17-19)15-7-11-18-9-3-2-4-10-18;3-1(4)2(5)6/h2-7,9-11,13-14,19H,8,12,15-17H2,1H3;(H,3,4)(H,5,6)/p-2/b11-7+;