4-azanyl-2-oxidanyl-benzoic acid; 10-(2-pyrrolidin-1-ylethyl)phenothiazine

Systemtic Name: 4-azanyl-2-oxidanyl-benzoic acid; 10-(2-pyrrolidin-1-ylethyl)phenothiazine Openeye Name: 4-amino-2-hydroxy-benzoic acid; 10-(2-pyrrolidin-1-ylethyl)phenothiazine CAS Name: 4-amino-2-hydroxybenzoic acid; 10-[2-(1-pyrrolidinyl)ethyl]phenothiazine IUPAC Name: 4-amino-2-hydroxybenzoic acid; 10-(2-pyrrolidin-1-ylethyl)phenothiazine Traditional Name: 4-amino-2-hydroxy-benzoic acid; 10-(2-pyrrolidinoethyl)phenothiazine Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C3=CC=CC=C3SC4=CC=CC=C42.C1=CC(=C(C=C1N)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CCN2C3=CC=CC=C3SC4=CC=CC=C42.C1=CC(=C(C=C1N)O)C(=O)O

InChI

InChI=1S/C18H20N2S.C7H7NO3/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17;8-4-1-2-5(7(10)11)6(9)3-4/h1-4,7-10H,5-6,11-14H2;1-3,9H,8H2,(H,10,11)