ethanedioic acid; 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine

Systemtic Name: ethanedioic acid; 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine Openeye Name: 11-(1-methyl-4-piperidylidene)pyrrolo[2,1-b][3]benzazepine; oxalic acid CAS Name: 11-(1-methyl-4-piperidinylidene)pyrrolo[2,1-b][3]benzazepine; oxalic acid IUPAC Name: 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine; oxalic acid Traditional Name: 11-(1-methyl-4-piperidylidene)pyrrolo[2,1-b][3]benzazepine; oxalic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC=CC=C3C=CN4C2=CC=C4)CC1.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(=C2C3=CC=CC=C3C=CN4C2=CC=C4)CC1.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20N2.C2H2O4/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21;3-1(4)2(5)6/h2-7,10-11,14H,8-9,12-13H2,1H3;(H,3,4)(H,5,6)