2-chloranyl-10-[3-(4-methoxy-4-phenyl-piperidin-1-yl)propyl]phenothiazine hydrate hydrochloride

Systemtic Name: 2-chloranyl-10-[3-(4-methoxy-4-phenyl-piperidin-1-yl)propyl]phenothiazine hydrate hydrochloride Openeye Name: 2-chloro-10-[3-(4-methoxy-4-phenyl-1-piperidyl)propyl]phenothiazine hydrate hydrochloride CAS Name: 2-chloro-10-[3-(4-methoxy-4-phenyl-1-piperidinyl)propyl]phenothiazine hydrate hydrochloride IUPAC Name: 2-chloro-10-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]phenothiazine hydrate hydrochloride Traditional Name: 2-chloro-10-[3-(4-methoxy-4-phenyl-piperidino)propyl]phenothiazine hydrate hydrochloride Formula: C27H32Cl2N2O2S MolecularWeight: 519.52618

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=CC=CC=C5.O.Cl

Isomeric SMILES

COC1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=CC=CC=C5.O.Cl

InChI

InChI=1S/C27H29ClN2OS.ClH.H2O/c1-31-27(21-8-3-2-4-9-21)14-18-29(19-15-27)16-7-17-30-23-10-5-6-11-25(23)32-26-13-12-22(28)20-24(26)30;;/h2-6,8-13,20H,7,14-19H2,1H3;1H;1H2