ethyl (3S)-1-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[4-(2-morpholinoethylcarbamoyl)phenyl]-4-piperidyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[1-[4-[[2-(4-morpholinyl)ethylamino]-oxomethyl]phenyl]-4-piperidinyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[1-[4-(2-morpholinoethylcarbamoyl)phenyl]-4-piperidyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C26H41N4O4+ MolecularWeight: 473.62814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCCN4CCOCC4

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C26H40N4O4/c1-2-34-26(32)22-4-3-12-30(20-22)24-9-13-29(14-10-24)23-7-5-21(6-8-23)25(31)27-11-15-28-16-18-33-19-17-28/h5-8,22,24H,2-4,9-20H2,1H3,(H,27,31)/p+1/t22-/m0/s1