(2S)-2-ethyl-1-methyl-4-[(2-phenyl-1H-imidazol-3-ium-5-yl)methyl]piperazin-1-ium

Systemtic Name: (2S)-2-ethyl-1-methyl-4-[(2-phenyl-1H-imidazol-3-ium-5-yl)methyl]piperazin-1-ium Openeye Name: (2S)-2-ethyl-1-methyl-4-[(2-phenyl-1H-imidazol-3-ium-5-yl)methyl]piperazin-1-ium CAS Name: (2S)-2-ethyl-1-methyl-4-[(2-phenyl-1H-imidazol-3-ium-5-yl)methyl]piperazin-1-ium IUPAC Name: (2S)-2-ethyl-1-methyl-4-[(2-phenyl-1H-imidazol-3-ium-5-yl)methyl]piperazin-1-ium Traditional Name: (2S)-2-ethyl-1-methyl-4-[(2-phenyl-1H-imidazol-3-ium-5-yl)methyl]piperazin-1-ium Formula: C17H26N4+2 MolecularWeight: 286.41514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)CC2=C[NH+]=C(N2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)CC2=C[NH+]=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4/c1-3-16-13-21(10-9-20(16)2)12-15-11-18-17(19-15)14-7-5-4-6-8-14/h4-8,11,16H,3,9-10,12-13H2,1-2H3,(H,18,19)/p+2/t16-/m0/s1