methyl 6-[[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]amino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]carbamoyl]nicotinic acid methyl ester Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O3/c1-27-20(26)15-6-9-18(22-11-15)19(25)23-17-3-2-10-24(13-17)12-14-4-7-16(21)8-5-14/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,25)/p+1/t17-/m0/s1