10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxylic acid

Systemtic Name: 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxylic acid Openeye Name: 10-(1-methyl-2-pyrrolidin-1-yl-ethyl)phenothiazine-2-carboxylic acid CAS Name: 10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarboxylic acid IUPAC Name: 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxylic acid Traditional Name: 10-(1-methyl-2-pyrrolidino-ethyl)phenothiazine-2-carboxylic acid Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)O

Isomeric SMILES

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)O

InChI

InChI=1S/C20H22N2O2S/c1-14(13-21-10-4-5-11-21)22-16-6-2-3-7-18(16)25-19-9-8-15(20(23)24)12-17(19)22/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,23,24)