methyl (4S)-4-[4-[4-(pyridin-2-ylmethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate

Systemtic Name: methyl (4S)-4-[4-[4-(pyridin-2-ylmethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate Openeye Name: methyl (4S)-4-[4-[4-(2-pyridylmethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate CAS Name: (4S)-4-[4-[4-[oxo-(2-pyridinylmethylamino)methyl]phenoxy]-1-piperidin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl (4S)-4-[4-[4-(pyridin-2-ylmethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate Traditional Name: (4S)-4-[4-[4-(2-pyridylmethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]valeric acid methyl ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C[C@@H](CCC(=O)OC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C24H31N3O4/c1-18(6-11-23(28)30-2)27-15-12-22(13-16-27)31-21-9-7-19(8-10-21)24(29)26-17-20-5-3-4-14-25-20/h3-5,7-10,14,18,22H,6,11-13,15-17H2,1-2H3,(H,26,29)/p+1/t18-/m0/s1