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

Systemtic Name: ethanedioate; N-methyl-N-[1-[3-(3-methylphenoxy)propyl]piperidin-3-yl]-1,3-benzothiazol-2-amine Openeye Name: N-methyl-N-[1-[3-(3-methylphenoxy)propyl]-3-piperidyl]-1,3-benzothiazol-2-amine; oxalate CAS Name: N-methyl-N-[1-[3-(3-methylphenoxy)propyl]-3-piperidinyl]-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-methyl-N-[1-[3-(3-methylphenoxy)propyl]piperidin-3-yl]-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-methyl-[1-[3-(3-methylphenoxy)propyl]-3-piperidyl]amine; oxalate Formula: C25H29N3O5S-2 MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2CCCC(C2)N(C)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2CCCC(C2)N(C)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C23H29N3OS.C2H2O4/c1-18-8-5-10-20(16-18)27-15-7-14-26-13-6-9-19(17-26)25(2)23-24-21-11-3-4-12-22(21)28-23;3-1(4)2(5)6/h3-5,8,10-12,16,19H,6-7,9,13-15,17H2,1-2H3;(H,3,4)(H,5,6)/p-2