1-morpholin-4-ium-4-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]cyclohexane-1-carboxamide

Systemtic Name: 1-morpholin-4-ium-4-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]cyclohexane-1-carboxamide Openeye Name: 1-morpholin-4-ium-4-yl-N-[(3S)-1-pyrimidin-2-yl-3-piperidyl]cyclohexanecarboxamide CAS Name: 1-(4-morpholin-4-iumyl)-N-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]-1-cyclohexanecarboxamide IUPAC Name: 1-morpholin-4-ium-4-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]cyclohexane-1-carboxamide Traditional Name: 1-morpholin-4-ium-4-yl-N-[(3S)-1-(2-pyrimidyl)-3-piperidyl]cyclohexanecarboxamide Formula: C20H32N5O2+ MolecularWeight: 374.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2CCCN(C2)C3=NC=CC=N3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)N[C@H]2CCCN(C2)C3=NC=CC=N3)[NH+]4CCOCC4

InChI

InChI=1S/C20H31N5O2/c26-18(20(7-2-1-3-8-20)25-12-14-27-15-13-25)23-17-6-4-11-24(16-17)19-21-9-5-10-22-19/h5,9-10,17H,1-4,6-8,11-16H2,(H,23,26)/p+1/t17-/m0/s1