N-(2-methylpropyl)-1-(1-pentan-3-ylpiperidin-1-ium-4-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-(1-pentan-3-ylpiperidin-1-ium-4-yl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-(1-ethylpropyl)piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide CAS Name: N-(2-methylpropyl)-1-(1-pentan-3-yl-4-piperidin-1-iumyl)-4-triazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-(1-pentan-3-ylpiperidin-1-ium-4-yl)triazole-4-carboxamide Traditional Name: 1-[1-(1-ethylpropyl)piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide Formula: C17H32N5O+ MolecularWeight: 322.46888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCC(CC1)N2C=C(N=N2)C(=O)NCC(C)C

Isomeric SMILES

CCC(CC)[NH+]1CCC(CC1)N2C=C(N=N2)C(=O)NCC(C)C

InChI

InChI=1S/C17H31N5O/c1-5-14(6-2)21-9-7-15(8-10-21)22-12-16(19-20-22)17(23)18-11-13(3)4/h12-15H,5-11H2,1-4H3,(H,18,23)/p+1