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

Systemtic Name: 1-(cyclohexylmethyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(cyclohexylmethyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]triazole-4-carboxamide CAS Name: 1-(cyclohexylmethyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-(2-pyridinyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-(cyclohexylmethyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-ylethyl]triazole-4-carboxamide Traditional Name: 1-(cyclohexylmethyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]triazole-4-carboxamide Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C=C(N=N2)C(=O)NCC(C3=CC=CC=N3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)CN2C=C(N=N2)C(=O)NC[C@@H](C3=CC=CC=N3)[NH+]4CCOCC4

InChI

InChI=1S/C21H30N6O2/c28-21(19-16-27(25-24-19)15-17-6-2-1-3-7-17)23-14-20(18-8-4-5-9-22-18)26-10-12-29-13-11-26/h4-5,8-9,16-17,20H,1-3,6-7,10-15H2,(H,23,28)/p+1/t20-/m0/s1