(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-8-pyridin-1-ium-1-yl-oct-2-enoic acid

Systemtic Name: (Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-8-pyridin-1-ium-1-yl-oct-2-enoic acid Openeye Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-pyridin-1-ium-1-yl-oct-2-enoic acid CAS Name: (Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-8-(1-pyridin-1-iumyl)-2-octenoic acid IUPAC Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-pyridin-1-ium-1-yloct-2-enoic acid Traditional Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-pyridin-1-ium-1-yl-oct-2-enoic acid Formula: C19H27N2O3+ MolecularWeight: 331.42928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCCC[N+]2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C\CCCCC[N+]2=CC=CC=C2)/C(=O)O)C

InChI

InChI=1S/C19H26N2O3/c1-19(2)14-15(19)17(22)20-16(18(23)24)10-6-3-4-7-11-21-12-8-5-9-13-21/h5,8-10,12-13,15H,3-4,6-7,11,14H2,1-2H3,(H-,20,22,23,24)/p+1/b16-10-