N-(2-methylpropyl)-1-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-(2-methylpropyl)-1-[(3S)-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-isobutyl-1-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C20H38N6O+2 MolecularWeight: 378.55532

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NCC(C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NCC(C)C

InChI

InChI=1S/C20H36N6O/c1-4-9-24-11-7-17(8-12-24)25-10-5-6-18(14-25)26-15-19(22-23-26)20(27)21-13-16(2)3/h15-18H,4-14H2,1-3H3,(H,21,27)/p+2/t18-/m0/s1