ethyl 4-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(4-isopropylanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(4-propan-2-ylanilino)-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-cumidinopiperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H35N3O2/c1-4-27-22(26)24-14-11-21(12-15-24)25-13-5-6-20(16-25)23-19-9-7-18(8-10-19)17(2)3/h7-10,17,20-21,23H,4-6,11-16H2,1-3H3/p+1/t20-/m0/s1