ethanedioate; N-methyl-N-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-3-yl]-1,3-benzothiazol-2-amine

Systemtic Name: ethanedioate; N-methyl-N-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-3-yl]-1,3-benzothiazol-2-amine Openeye Name: N-methyl-N-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-3-yl]-1,3-benzothiazol-2-amine; oxalate CAS Name: N-methyl-N-[1-[3-(3-methylphenoxy)propyl]-3-pyrrolidinyl]-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-methyl-N-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-3-yl]-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-methyl-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-3-yl]amine; oxalate Formula: C24H27N3O5S-2 MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2CCC(C2)N(C)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2CCC(C2)N(C)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C22H27N3OS.C2H2O4/c1-17-7-5-8-19(15-17)26-14-6-12-25-13-11-18(16-25)24(2)22-23-20-9-3-4-10-21(20)27-22;3-1(4)2(5)6/h3-5,7-10,15,18H,6,11-14,16H2,1-2H3;(H,3,4)(H,5,6)/p-2