methyl 6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]nicotinic acid methyl ester Formula: C23H28FN4O3+ MolecularWeight: 427.491823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN4O3/c1-31-23(30)17-4-9-21(25-15-17)22(29)28-10-2-3-20(16-28)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19/h4-9,15,20H,2-3,10-14,16H2,1H3/p+1/t20-/m0/s1