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

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine Openeye Name: fumaric acid; 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine CAS Name: (E)-2-butenedioic acid; 3-(2-methoxy-10-phenothiazinyl)-N,N-dimethyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine Traditional Name: fumaric acid; 3-(2-methoxyphenothiazin-10-yl)propyl-dimethyl-amine Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N2OS.C4H4O4/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20;5-3(6)1-2-4(7)8/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+