4-(3-pyridin-1-ium-1-ylpyrrolidin-1-yl)aniline ethanoate

Systemtic Name: 4-(3-pyridin-1-ium-1-ylpyrrolidin-1-yl)aniline ethanoate Openeye Name: 4-(3-pyridin-1-ium-1-ylpyrrolidin-1-yl)aniline acetate CAS Name: 4-[3-(1-pyridin-1-iumyl)-1-pyrrolidinyl]aniline acetate IUPAC Name: 4-(3-pyridin-1-ium-1-ylpyrrolidin-1-yl)aniline acetate Traditional Name: [4-(3-pyridin-1-ium-1-ylpyrrolidino)phenyl]amine acetate Formula: C17H21N3O2 MolecularWeight: 299.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1CN(CC1[N+]2=CC=CC=C2)C3=CC=C(C=C3)N

Isomeric SMILES

CC(=O)[O-].C1CN(CC1[N+]2=CC=CC=C2)C3=CC=C(C=C3)N

InChI

InChI=1S/C15H18N3.C2H4O2/c16-13-4-6-14(7-5-13)18-11-8-15(12-18)17-9-2-1-3-10-17;1-2(3)4/h1-7,9-10,15H,8,11-12,16H2;1H3,(H,3,4)/q+1;/p-1