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

Systemtic Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N-(2-hydroxyethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide CAS Name: 1-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-N-(2-hydroxyethyl)-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide Traditional Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide Formula: C17H30N5O2+ MolecularWeight: 336.4524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N5O2/c23-11-9-18-17(24)16-13-22(20-19-16)15-8-5-10-21(12-15)14-6-3-1-2-4-7-14/h13-15,23H,1-12H2,(H,18,24)/p+1/t15-/m0/s1