(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-azanium

Systemtic Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-azanium Openeye Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium CAS Name: (1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-phenethylammonium IUPAC Name: (1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethylazanium Traditional Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium Formula: C23H38N4+2 MolecularWeight: 370.57462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+](CCC2=CC=CC=C2)CC3CCC[NH+](C3)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+](CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C)C

InChI

InChI=1S/C23H36N4/c1-5-27-20(3)23(19(2)24-27)18-26(15-13-21-10-7-6-8-11-21)17-22-12-9-14-25(4)16-22/h6-8,10-11,22H,5,9,12-18H2,1-4H3/p+2/t22-/m0/s1