(E)-but-2-enedioic acid; (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine Openeye Name: (3S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; (3S)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-thiophen-2-yl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine Traditional Name: dimethyl-[(3S)-3-(1-naphthoxy)-3-(2-thienyl)propyl]amine; fumaric acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21NOS.C4H4O4/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17;5-3(6)1-2-4(7)8/h3-11,14,18H,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-;/m0./s1