[3-ethyl-2-(phenylcarbamoyl)-1,5-dipropyl-pyridin-1-ium-4-yl] carbamate

Systemtic Name: [3-ethyl-2-(phenylcarbamoyl)-1,5-dipropyl-pyridin-1-ium-4-yl] carbamate Openeye Name: [3-ethyl-2-(phenylcarbamoyl)-1,5-dipropyl-pyridin-1-ium-4-yl] carbamate CAS Name: carbamic acid [2-[anilino(oxo)methyl]-3-ethyl-1,5-dipropyl-4-pyridin-1-iumyl] ester IUPAC Name: [3-ethyl-2-(phenylcarbamoyl)-1,5-dipropylpyridin-1-ium-4-yl] carbamate Traditional Name: carbamic acid [3-ethyl-2-(phenylcarbamoyl)-1,5-dipropyl-pyridin-1-ium-4-yl] ester Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+](=C(C(=C1OC(=O)N)CC)C(=O)NC2=CC=CC=C2)CCC

Isomeric SMILES

CCCC1=C[N+](=C(C(=C1OC(=O)N)CC)C(=O)NC2=CC=CC=C2)CCC

InChI

InChI=1S/C21H27N3O3/c1-4-10-15-14-24(13-5-2)18(17(6-3)19(15)27-21(22)26)20(25)23-16-11-8-7-9-12-16/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H2-,22,23,25,26)/p+1