(E)-but-2-enedioic acid; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine Openeye Name: fumaric acid; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine CAS Name: (E)-2-butenedioic acid; N,N,2-trimethyl-3-(10-phenothiazinyl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine Traditional Name: dimethyl-(2-methyl-3-phenothiazin-10-yl-propyl)amine; fumaric acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N2S.C4H4O4/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-3(6)1-2-4(7)8/h4-11,14H,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+