(E)-but-2-enedioate; 1-(diphenylmethyl)oxy-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium

Systemtic Name: (E)-but-2-enedioate; 1-(diphenylmethyl)oxy-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium Openeye Name: 1-benzhydryloxy-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium; (E)-but-2-enedioate CAS Name: (E)-2-butenedioate; 1-(diphenylmethyl)oxy-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium IUPAC Name: 1-benzhydryloxy-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium; (E)-but-2-enedioate Traditional Name: 1-benzhydryloxy-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium fumarate Formula: C58H66N2O8 MolecularWeight: 919.15324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC[N+]2(CCCCC2)OC(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC=CC(=C1)CC[N+]2(CCCCC2)OC(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CC[N+]2(CCCCC2)OC(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC=CC(=C1)CC[N+]2(CCCCC2)OC(C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C27H32NO2.C4H4O4/c2*1-29-26-17-11-12-23(22-26)18-21-28(19-9-4-10-20-28)30-27(24-13-5-2-6-14-24)25-15-7-3-8-16-25;5-3(6)1-2-4(7)8/h2*2-3,5-8,11-17,22,27H,4,9-10,18-21H2,1H3;1-2H,(H,5,6)(H,7,8)/q2*+1;/p-2/b;;2-1+