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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-(2,2-dimethylpropyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-neopentylpiperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C18H32N5O+ MolecularWeight: 334.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCCC(C1)N2C=C(N=N2)C(=O)NC3CCCC3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC[C@@H](C1)N2C=C(N=N2)C(=O)NC3CCCC3

InChI

InChI=1S/C18H31N5O/c1-18(2,3)13-22-10-6-9-15(11-22)23-12-16(20-21-23)17(24)19-14-7-4-5-8-14/h12,14-15H,4-11,13H2,1-3H3,(H,19,24)/p+1/t15-/m0/s1