10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]phenothiazine; ethanedioic acid

Systemtic Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]phenothiazine; ethanedioic acid Openeye Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]phenothiazine; oxalic acid CAS Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]phenothiazine; oxalic acid IUPAC Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]phenothiazine; oxalic acid Traditional Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]phenothiazine; oxalic acid Formula: C27H33N3O8S MolecularWeight: 559.63122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN2CCN(CC2C1)CCCN3C4=CC=CC=C4SC5=CC=CC=C53.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN2CCN(CC2C1)CCCN3C4=CC=CC=C4SC5=CC=CC=C53.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29N3S.2C2H2O4/c1-3-11-22-20(9-1)26(21-10-2-4-12-23(21)27-22)15-7-13-24-16-17-25-14-6-5-8-19(25)18-24;2*3-1(4)2(5)6/h1-4,9-12,19H,5-8,13-18H2;2*(H,3,4)(H,5,6)