[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C21H34N4+2 MolecularWeight: 342.52146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C(=C(N1)C)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CCC1=[NH+]C(=C(N1)C)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N4/c1-4-21-22-17(2)20(23-21)16-25-13-8-11-19(15-25)24(3)14-12-18-9-6-5-7-10-18/h5-7,9-10,19H,4,8,11-16H2,1-3H3,(H,22,23)/p+2/t19-/m0/s1