(E)-but-2-enedioate; 5-chloranyl-3-(piperidin-4-ylmethyl)-1H-indole

Systemtic Name: (E)-but-2-enedioate; 5-chloranyl-3-(piperidin-4-ylmethyl)-1H-indole Openeye Name: (E)-but-2-enedioate; 5-chloro-3-(4-piperidylmethyl)-1H-indole CAS Name: (E)-2-butenedioate; 5-chloro-3-(4-piperidinylmethyl)-1H-indole IUPAC Name: (E)-but-2-enedioate; 5-chloro-3-(piperidin-4-ylmethyl)-1H-indole Traditional Name: 5-chloro-3-(4-piperidylmethyl)-1H-indole fumarate Formula: C18H19ClN2O4-2 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=CNC3=C2C=C(C=C3)Cl.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CNCCC1CC2=CNC3=C2C=C(C=C3)Cl.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H17ClN2.C4H4O4/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10;5-3(6)1-2-4(7)8/h1-2,8-10,16-17H,3-7H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+