(3S)-1-[(2-ethyl-1H-imidazol-5-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-ethyl-1H-imidazol-5-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-ethyl-1H-imidazol-5-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-ethyl-1H-imidazol-5-yl)methyl]-N-[(3-methyl-4-imidazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-ethyl-1H-imidazol-5-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-ethyl-1H-imidazol-5-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C17H27N6O+ MolecularWeight: 331.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(N1)C[NH+]2CCCC(C2)C(=O)NCC3=CN=CN3C

Isomeric SMILES

CCC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)C(=O)NCC3=CN=CN3C

InChI

InChI=1S/C17H26N6O/c1-3-16-19-7-14(21-16)11-23-6-4-5-13(10-23)17(24)20-9-15-8-18-12-22(15)2/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,19,21)(H,20,24)/p+1/t13-/m0/s1