1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide CAS Name: 1-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-N-(3-hydroxypropyl)-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Traditional Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Formula: C18H32N5O2+ MolecularWeight: 350.47898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NCCCO

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NCCCO

InChI

InChI=1S/C18H31N5O2/c24-12-6-10-19-18(25)17-14-23(21-20-17)16-9-5-11-22(13-16)15-7-3-1-2-4-8-15/h14-16,24H,1-13H2,(H,19,25)/p+1/t16-/m0/s1