N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine; (Z)-2-methylbut-2-enedioic acid

Systemtic Name: N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine; (Z)-2-methylbut-2-enedioic acid Openeye Name: N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine; (Z)-2-methylbut-2-enedioic acid CAS Name: N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine; (Z)-2-methyl-2-butenedioic acid IUPAC Name: N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine; (Z)-2-methylbut-2-enedioic acid Traditional Name: citraconic acid; dimethyl(3-phenothiazin-10-ylpropyl)amine Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)O.CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

C/C(=C/C(=O)O)/C(=O)O.CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C17H20N2S.C5H6O4/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;1-3(5(8)9)2-4(6)7/h3-6,8-11H,7,12-13H2,1-2H3;2H,1H3,(H,6,7)(H,8,9)/b;3-2-