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

Systemtic Name: (3S)-1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C15H26ClN4+ MolecularWeight: 297.84674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCC(C2)[NH+]3CCCC3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCC[C@@H](C2)[NH+]3CCCC3)Cl)C

InChI

InChI=1S/C15H25ClN4/c1-12-14(15(16)18(2)17-12)11-19-7-5-6-13(10-19)20-8-3-4-9-20/h13H,3-11H2,1-2H3/p+1/t13-/m0/s1