ethyl (3S)-1-[1-[4-(cyclopentylcarbonylamino)phenyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[1-[4-(cyclopentylcarbonylamino)phenyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[4-(cyclopentanecarbonylamino)phenyl]-4-piperidyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[1-[4-[[cyclopentyl(oxo)methyl]amino]phenyl]-4-piperidinyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[4-(cyclopentanecarbonylamino)phenyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[1-[4-(cyclopentanecarbonylamino)phenyl]-4-piperidyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H38N3O3+ MolecularWeight: 428.58752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CCCC4

InChI

InChI=1S/C25H37N3O3/c1-2-31-25(30)20-8-5-15-28(18-20)23-13-16-27(17-14-23)22-11-9-21(10-12-22)26-24(29)19-6-3-4-7-19/h9-12,19-20,23H,2-8,13-18H2,1H3,(H,26,29)/p+1/t20-/m0/s1