[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C18H28N4+2 MolecularWeight: 300.44172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=[NH+]C=CN3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=[NH+]C=CN3

InChI

InChI=1S/C18H26N4/c1-21(13-9-16-6-3-2-4-7-16)17-8-5-12-22(14-17)15-18-19-10-11-20-18/h2-4,6-7,10-11,17H,5,8-9,12-15H2,1H3,(H,19,20)/p+2/t17-/m0/s1