N,N-diethyl-1-phenothiazin-10-yl-propan-2-amine; phthalic acid; hydrochloride

Systemtic Name: N,N-diethyl-1-phenothiazin-10-yl-propan-2-amine; phthalic acid; hydrochloride Openeye Name: N,N-diethyl-1-phenothiazin-10-yl-propan-2-amine; phthalic acid; hydrochloride CAS Name: N,N-diethyl-1-(10-phenothiazinyl)-2-propanamine; phthalic acid; hydrochloride IUPAC Name: N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine; phthalic acid; hydrochloride Traditional Name: diethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)amine; phthalic acid; hydrochloride Formula: C27H31ClN2O4S MolecularWeight: 515.06404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31.C1=CC=C(C(=C1)C(=O)O)C(=O)O.Cl

Isomeric SMILES

CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31.C1=CC=C(C(=C1)C(=O)O)C(=O)O.Cl

InChI

InChI=1S/C19H24N2S.C8H6O4.ClH/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21;9-7(10)5-3-1-2-4-6(5)8(11)12;/h6-13,15H,4-5,14H2,1-3H3;1-4H,(H,9,10)(H,11,12);1H