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

Systemtic Name: N-[(2R)-2-morpholin-4-yl-2-pyridin-4-yl-ethyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(2R)-2-morpholino-2-(4-pyridyl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[(2R)-2-(4-morpholinyl)-2-pyridin-4-ylethyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[(2R)-2-morpholino-2-(4-pyridyl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C21H32N7O2+ MolecularWeight: 414.52448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC(C3=CC=NC=C3)N4CCOCC4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NC[C@@H](C3=CC=NC=C3)N4CCOCC4

InChI

InChI=1S/C21H31N7O2/c29-21(19-17-28(25-24-19)11-10-26-8-2-1-3-9-26)23-16-20(18-4-6-22-7-5-18)27-12-14-30-15-13-27/h4-7,17,20H,1-3,8-16H2,(H,23,29)/p+1/t20-/m0/s1