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

Systemtic Name: (2S)-2-ethyl-1-methyl-4-[(5-methyl-2-phenyl-1H-imidazol-3-ium-4-yl)methyl]piperazin-1-ium Openeye Name: (2S)-2-ethyl-1-methyl-4-[(5-methyl-2-phenyl-1H-imidazol-3-ium-4-yl)methyl]piperazin-1-ium CAS Name: (2S)-2-ethyl-1-methyl-4-[(5-methyl-2-phenyl-1H-imidazol-3-ium-4-yl)methyl]piperazin-1-ium IUPAC Name: (2S)-2-ethyl-1-methyl-4-[(5-methyl-2-phenyl-1H-imidazol-3-ium-4-yl)methyl]piperazin-1-ium Traditional Name: (2S)-2-ethyl-1-methyl-4-[(5-methyl-2-phenyl-1H-imidazol-3-ium-4-yl)methyl]piperazin-1-ium Formula: C18H28N4+2 MolecularWeight: 300.44172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)CC2=C(NC(=[NH+]2)C3=CC=CC=C3)C

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)CC2=C(NC(=[NH+]2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H26N4/c1-4-16-12-22(11-10-21(16)3)13-17-14(2)19-18(20-17)15-8-6-5-7-9-15/h5-9,16H,4,10-13H2,1-3H3,(H,19,20)/p+2/t16-/m0/s1