(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C17H31N4+ MolecularWeight: 291.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CCCC(C2)[NH+]3CCCC3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2CCC[C@@H](C2)[NH+]3CCCC3)C

InChI

InChI=1S/C17H30N4/c1-4-21-15(3)17(14(2)18-21)13-19-9-7-8-16(12-19)20-10-5-6-11-20/h16H,4-13H2,1-3H3/p+1/t16-/m0/s1