1-morpholin-4-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]cyclohexane-1-carboxamide

Systemtic Name: 1-morpholin-4-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]cyclohexane-1-carboxamide Openeye Name: 1-morpholino-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]cyclohexanecarboxamide CAS Name: 1-(4-morpholinyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: 1-morpholin-4-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]cyclohexane-1-carboxamide Traditional Name: 1-morpholino-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]cyclohexanecarboxamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)N4CCOCC4

InChI

InChI=1S/C22H34N4O2/c27-21(22(9-3-1-4-10-22)26-13-15-28-16-14-26)24-20-8-6-12-25(18-20)17-19-7-2-5-11-23-19/h2,5,7,11,20H,1,3-4,6,8-10,12-18H2,(H,24,27)/p+1/t20-/m0/s1