2-[[(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C17H35N5+2 MolecularWeight: 309.4933

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)N(C)CC[NH+](C)C

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)N(C)CC[NH+](C)C

InChI

InChI=1S/C17H33N5/c1-6-22-13-16(15(2)18-22)12-21-9-7-8-17(14-21)20(5)11-10-19(3)4/h13,17H,6-12,14H2,1-5H3/p+2/t17-/m0/s1