butanedioic acid; 10-[3-(4-phenylpiperidin-1-yl)propyl]phenothiazine; hydrate

Systemtic Name: butanedioic acid; 10-[3-(4-phenylpiperidin-1-yl)propyl]phenothiazine; hydrate Openeye Name: 10-[3-(4-phenyl-1-piperidyl)propyl]phenothiazine; succinic acid; hydrate CAS Name: butanedioic acid; 10-[3-(4-phenyl-1-piperidinyl)propyl]phenothiazine; hydrate IUPAC Name: butanedioic acid; 10-[3-(4-phenylpiperidin-1-yl)propyl]phenothiazine; hydrate Traditional Name: 10-[3-(4-phenylpiperidino)propyl]phenothiazine; succinic acid; hydrate Formula: C30H36N2O5S MolecularWeight: 536.68224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCCN3C4=CC=CC=C4SC5=CC=CC=C53.C(CC(=O)O)C(=O)O.O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCCN3C4=CC=CC=C4SC5=CC=CC=C53.C(CC(=O)O)C(=O)O.O

InChI

InChI=1S/C26H28N2S.C4H6O4.H2O/c1-2-9-21(10-3-1)22-15-19-27(20-16-22)17-8-18-28-23-11-4-6-13-25(23)29-26-14-7-5-12-24(26)28;5-3(6)1-2-4(7)8;/h1-7,9-14,22H,8,15-20H2;1-2H2,(H,5,6)(H,7,8);1H2