butanedioic acid; 2-chloranyl-10-[3-(4-phenylpiperidin-1-yl)propyl]phenothiazine; hydrate

Systemtic Name: butanedioic acid; 2-chloranyl-10-[3-(4-phenylpiperidin-1-yl)propyl]phenothiazine; hydrate Openeye Name: 2-chloro-10-[3-(4-phenyl-1-piperidyl)propyl]phenothiazine; succinic acid; hydrate CAS Name: butanedioic acid; 2-chloro-10-[3-(4-phenyl-1-piperidinyl)propyl]phenothiazine; hydrate IUPAC Name: butanedioic acid; 2-chloro-10-[3-(4-phenylpiperidin-1-yl)propyl]phenothiazine; hydrate Traditional Name: 2-chloro-10-[3-(4-phenylpiperidino)propyl]phenothiazine; succinic acid; hydrate Formula: C30H35ClN2O5S MolecularWeight: 571.1273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(CC(=O)O)C(=O)O.O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(CC(=O)O)C(=O)O.O

InChI

InChI=1S/C26H27ClN2S.C4H6O4.H2O/c27-22-11-12-26-24(19-22)29(23-9-4-5-10-25(23)30-26)16-6-15-28-17-13-21(14-18-28)20-7-2-1-3-8-20;5-3(6)1-2-4(7)8;/h1-5,7-12,19,21H,6,13-18H2;1-2H2,(H,5,6)(H,7,8);1H2