[4-(dimethylamino)pyridin-1-ium-1-yl] ethanoate; tetraphenylboranuide

Systemtic Name: [4-(dimethylamino)pyridin-1-ium-1-yl] ethanoate; tetraphenylboranuide Openeye Name: [4-(dimethylamino)pyridin-1-ium-1-yl] acetate; tetraphenylboranuide CAS Name: acetic acid [4-(dimethylamino)-1-pyridin-1-iumyl] ester; tetraphenylboranuide IUPAC Name: [4-(dimethylamino)pyridin-1-ium-1-yl] acetate; tetraphenylboranuide Traditional Name: acetic acid [4-(dimethylamino)pyridin-1-ium-1-yl] ester; tetraphenylboranuide Formula: C33H33BN2O2 MolecularWeight: 500.43832

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(=O)O[N+]1=CC=C(C=C1)N(C)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(=O)O[N+]1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C24H20B.C9H13N2O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-8(12)13-11-6-4-9(5-7-11)10(2)3/h1-20H;4-7H,1-3H3/q-1;+1