N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-methyl-N-[(3-phenylisoxazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-methyl-N-[(3-phenyl-5-isoxazolyl)methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-methyl-N-[(3-phenylisoxazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=NO1)C2=CC=CC=C2)C(=O)C3=CN(N=N3)CC[NH+]4CCCCC4

Isomeric SMILES

CN(CC1=CC(=NO1)C2=CC=CC=C2)C(=O)C3=CN(N=N3)CC[NH+]4CCCCC4

InChI

InChI=1S/C21H26N6O2/c1-25(15-18-14-19(23-29-18)17-8-4-2-5-9-17)21(28)20-16-27(24-22-20)13-12-26-10-6-3-7-11-26/h2,4-5,8-9,14,16H,3,6-7,10-13,15H2,1H3/p+1