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

Systemtic Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-N-(2-hydroxyethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide CAS Name: 1-[(3S)-1-(2-adamantyl)-3-piperidin-1-iumyl]-N-(2-hydroxyethyl)-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide Traditional Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide Formula: C20H32N5O2+ MolecularWeight: 374.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2C3CC4CC(C3)CC2C4)N5C=C(N=N5)C(=O)NCCO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2C3CC4CC(C3)CC2C4)N5C=C(N=N5)C(=O)NCCO

InChI

InChI=1S/C20H31N5O2/c26-5-3-21-20(27)18-12-25(23-22-18)17-2-1-4-24(11-17)19-15-7-13-6-14(9-15)10-16(19)8-13/h12-17,19,26H,1-11H2,(H,21,27)/p+1/t13?,14?,15?,16?,17-,19?/m0/s1