N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1,2,4-triazol-1-yl)ethanamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1,2,4-triazol-1-yl)acetamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-2-(1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1,2,4-triazol-1-yl)acetamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1,2,4-triazol-1-yl)acetamide Formula: C16H28N5O+ MolecularWeight: 306.42642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NC(=O)CN3C=NC=N3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NC(=O)CN3C=NC=N3

InChI

InChI=1S/C16H27N5O/c22-16(11-21-13-17-12-18-21)19-15-7-4-8-20(10-15)9-14-5-2-1-3-6-14/h12-15H,1-11H2,(H,19,22)/p+1/t15-/m0/s1