methyl (2R)-2-(2-chlorophenyl)-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(5-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(5-cyano-2-pyridinyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(5-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C19H20ClN4O2+ MolecularWeight: 371.8407

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C19H19ClN4O2/c1-26-19(25)18(15-4-2-3-5-16(15)20)24-10-8-23(9-11-24)17-7-6-14(12-21)13-22-17/h2-7,13,18H,8-11H2,1H3/p+1/t18-/m1/s1