1-[4-[3-(2-tert-butylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol hydrate tetrahydrochloride

Systemtic Name: 1-[4-[3-(2-tert-butylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol hydrate tetrahydrochloride Openeye Name: 1-[4-[3-(2-tert-butylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol hydrate tetrahydrochloride CAS Name: 1-[4-[3-(2-tert-butyl-10-phenothiazinyl)propyl]-1-piperazinyl]ethanol hydrate tetrahydrochloride IUPAC Name: 1-[4-[3-(2-tert-butylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol hydrate tetrahydrochloride Traditional Name: 1-[4-[3-(2-tert-butylphenothiazin-10-yl)propyl]piperazino]ethanol hydrate tetrahydrochloride Formula: C50H76Cl4N6O3S2 MolecularWeight: 1015.11884

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(C)(C)C)O.CC(N1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(C)(C)C)O.O.Cl.Cl.Cl.Cl

Isomeric SMILES

CC(N1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(C)(C)C)O.CC(N1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(C)(C)C)O.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C25H35N3OS.4ClH.H2O/c2*1-19(29)27-16-14-26(15-17-27)12-7-13-28-21-8-5-6-9-23(21)30-24-11-10-20(18-22(24)28)25(2,3)4;;;;;/h2*5-6,8-11,18-19,29H,7,12-17H2,1-4H3;4*1H;1H2