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

Systemtic Name: 1-[(3S)-1-(1-ethylpiperidin-4-yl)piperidin-1-ium-3-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-(1-ethyl-4-piperidyl)piperidin-1-ium-3-yl]-N-isobutyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-(1-ethyl-4-piperidinyl)-3-piperidin-1-iumyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-(1-ethylpiperidin-4-yl)piperidin-1-ium-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: 1-[(3S)-1-(1-ethyl-4-piperidyl)piperidin-1-ium-3-yl]-N-isobutyl-triazole-4-carboxamide Formula: C19H35N6O+ MolecularWeight: 363.5208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NCC(C)C

Isomeric SMILES

CCN1CCC(CC1)[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NCC(C)C

InChI

InChI=1S/C19H34N6O/c1-4-23-10-7-16(8-11-23)24-9-5-6-17(13-24)25-14-18(21-22-25)19(26)20-12-15(2)3/h14-17H,4-13H2,1-3H3,(H,20,26)/p+1/t17-/m0/s1