[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl 1-(methylamino)piperidin-1-ium-1-carboxylate

Systemtic Name: [4-(phenylmethoxycarbonylamino)cyclohexyl]methyl 1-(methylamino)piperidin-1-ium-1-carboxylate Openeye Name: [4-(benzyloxycarbonylamino)cyclohexyl]methyl 1-(methylamino)piperidin-1-ium-1-carboxylate CAS Name: 1-(methylamino)-1-piperidin-1-iumcarboxylic acid [4-(phenylmethoxycarbonylamino)cyclohexyl]methyl ester IUPAC Name: [4-(phenylmethoxycarbonylamino)cyclohexyl]methyl 1-(methylamino)piperidin-1-ium-1-carboxylate Traditional Name: 1-(methylamino)piperidin-1-ium-1-carboxylic acid [4-(benzyloxycarbonylamino)cyclohexyl]methyl ester Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(CCCCC1)C(=O)OCC2CCC(CC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN[N+]1(CCCCC1)C(=O)OCC2CCC(CC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O4/c1-23-25(14-6-3-7-15-25)22(27)29-17-19-10-12-20(13-11-19)24-21(26)28-16-18-8-4-2-5-9-18/h2,4-5,8-9,19-20,23H,3,6-7,10-17H2,1H3/p+1