(E)-but-2-enedioic acid; 1-methyl-3-[1-(phenylmethyl)piperidin-4-yl]-1-propyl-3,4-dihydro-2H-quinolin-1-ium-7-olate

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-3-[1-(phenylmethyl)piperidin-4-yl]-1-propyl-3,4-dihydro-2H-quinolin-1-ium-7-olate Openeye Name: 3-(1-benzyl-4-piperidyl)-1-methyl-1-propyl-3,4-dihydro-2H-quinolin-1-ium-7-olate; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-methyl-3-[1-(phenylmethyl)-4-piperidinyl]-1-propyl-3,4-dihydro-2H-quinolin-1-ium-7-olate IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-methyl-1-propyl-3,4-dihydro-2H-quinolin-1-ium-7-olate; (E)-but-2-enedioic acid Traditional Name: 3-(1-benzyl-4-piperidyl)-1-methyl-1-propyl-3,4-dihydro-2H-quinolin-1-ium-7-olate; fumaric acid Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC(CC2=C1C=C(C=C2)[O-])C3CCN(CC3)CC4=CC=CC=C4)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC[N+]1(CC(CC2=C1C=C(C=C2)[O-])C3CCN(CC3)CC4=CC=CC=C4)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H34N2O.C4H4O4/c1-3-15-27(2)19-23(16-22-9-10-24(28)17-25(22)27)21-11-13-26(14-12-21)18-20-7-5-4-6-8-20;5-3(6)1-2-4(7)8/h4-10,17,21,23H,3,11-16,18-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+