methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(4-chloroanilino)-oxomethyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN3O3/c1-21-13(19)10-17-6-8-18(9-7-17)14(20)16-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,20)/p+1