2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-azanylbutanoate trihydrochloride

Systemtic Name: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-azanylbutanoate trihydrochloride Openeye Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-aminobutanoate trihydrochloride CAS Name: 4-aminobutanoic acid 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethyl ester trihydrochloride IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-aminobutanoate trihydrochloride Traditional Name: 4-aminobutyric acid 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazino]ethyl ester trihydrochloride Formula: C25H36Cl4N4O2S MolecularWeight: 598.45594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCOC(=O)CCCN.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCOC(=O)CCCN.Cl.Cl.Cl

InChI

InChI=1S/C25H33ClN4O2S.3ClH/c26-20-8-9-24-22(19-20)30(21-5-1-2-6-23(21)33-24)12-4-11-28-13-15-29(16-14-28)17-18-32-25(31)7-3-10-27;;;/h1-2,5-6,8-9,19H,3-4,7,10-18,27H2;3*1H