2,2-dimethyl-3-(4-phenothiazin-10-ylpiperidin-1-yl)propanoic acid

Systemtic Name: 2,2-dimethyl-3-(4-phenothiazin-10-ylpiperidin-1-yl)propanoic acid Openeye Name: 2,2-dimethyl-3-(4-phenothiazin-10-yl-1-piperidyl)propanoic acid CAS Name: 2,2-dimethyl-3-[4-(10-phenothiazinyl)-1-piperidinyl]propanoic acid IUPAC Name: 2,2-dimethyl-3-(4-phenothiazin-10-ylpiperidin-1-yl)propanoic acid Traditional Name: 2,2-dimethyl-3-(4-phenothiazin-10-ylpiperidino)propionic acid Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCC(CC1)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CC(C)(CN1CCC(CC1)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C22H26N2O2S/c1-22(2,21(25)26)15-23-13-11-16(12-14-23)24-17-7-3-5-9-19(17)27-20-10-6-4-8-18(20)24/h3-10,16H,11-15H2,1-2H3,(H,25,26)