(E)-but-2-enedioate; 1-phenyl-3-(2-piperidin-4-ylethyl)indole

Systemtic Name: (E)-but-2-enedioate; 1-phenyl-3-(2-piperidin-4-ylethyl)indole Openeye Name: (E)-but-2-enedioate; 1-phenyl-3-[2-(4-piperidyl)ethyl]indole CAS Name: (E)-2-butenedioate; 1-phenyl-3-[2-(4-piperidinyl)ethyl]indole IUPAC Name: (E)-but-2-enedioate; 1-phenyl-3-(2-piperidin-4-ylethyl)indole Traditional Name: 1-phenyl-3-[2-(4-piperidyl)ethyl]indole fumarate Formula: C25H26N2O4-2 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC2=CN(C3=CC=CC=C32)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CNCCC1CCC2=CN(C3=CC=CC=C32)C4=CC=CC=C4.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C21H24N2.C4H4O4/c1-2-6-19(7-3-1)23-16-18(20-8-4-5-9-21(20)23)11-10-17-12-14-22-15-13-17;5-3(6)1-2-4(7)8/h1-9,16-17,22H,10-15H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+