1-cyclohexyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-pyridin-3-yl-ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-cyclohexyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-pyridin-3-yl-ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-cyclohexyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(3-pyridyl)ethyl]triazole-4-carboxamide CAS Name: 1-cyclohexyl-N-[(2R)-2-(4-morpholin-4-iumyl)-2-(3-pyridinyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-cyclohexyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl]triazole-4-carboxamide Traditional Name: 1-cyclohexyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(3-pyridyl)ethyl]triazole-4-carboxamide Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(N=N2)C(=O)NCC(C3=CN=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)N2C=C(N=N2)C(=O)NC[C@@H](C3=CN=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C20H28N6O2/c27-20(18-15-26(24-23-18)17-6-2-1-3-7-17)22-14-19(16-5-4-8-21-13-16)25-9-11-28-12-10-25/h4-5,8,13,15,17,19H,1-3,6-7,9-12,14H2,(H,22,27)/p+1/t19-/m0/s1