tert-butyl 3-[1-methyl-3-(phenothiazin-10-ylmethyl)pyrrolidin-3-yl]propanoate hydrochloride

Systemtic Name: tert-butyl 3-[1-methyl-3-(phenothiazin-10-ylmethyl)pyrrolidin-3-yl]propanoate hydrochloride Openeye Name: tert-butyl 3-[1-methyl-3-(phenothiazin-10-ylmethyl)pyrrolidin-3-yl]propanoate hydrochloride CAS Name: 3-[1-methyl-3-(10-phenothiazinylmethyl)-3-pyrrolidinyl]propanoic acid tert-butyl ester hydrochloride IUPAC Name: tert-butyl 3-[1-methyl-3-(phenothiazin-10-ylmethyl)pyrrolidin-3-yl]propanoate hydrochloride Traditional Name: 3-[1-methyl-3-(phenothiazin-10-ylmethyl)pyrrolidin-3-yl]propionic acid tert-butyl ester hydrochloride Formula: C25H33ClN2O2S MolecularWeight: 461.05972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1(CCN(C1)C)CN2C3=CC=CC=C3SC4=CC=CC=C42.Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCC1(CCN(C1)C)CN2C3=CC=CC=C3SC4=CC=CC=C42.Cl

InChI

InChI=1S/C25H32N2O2S.ClH/c1-24(2,3)29-23(28)13-14-25(15-16-26(4)17-25)18-27-19-9-5-7-11-21(19)30-22-12-8-6-10-20(22)27;/h5-12H,13-18H2,1-4H3;1H