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

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-(10H-phenothiazin-1-yl)propan-1-amine Openeye Name: N,N-dimethyl-3-(10H-phenothiazin-1-yl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-(10H-phenothiazin-1-yl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-(10H-phenothiazin-1-yl)propan-1-amine Traditional Name: dimethyl-[3-(10H-phenothiazin-1-yl)propyl]amine; fumaric acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1=C2C(=CC=C1)SC3=CC=CC=C3N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCC1=C2C(=CC=C1)SC3=CC=CC=C3N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N2S.C4H4O4/c1-19(2)12-6-8-13-7-5-11-16-17(13)18-14-9-3-4-10-15(14)20-16;5-3(6)1-2-4(7)8/h3-5,7,9-11,18H,6,8,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+