(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C19H33N4+ MolecularWeight: 317.49212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)CN3CCCC(C3)[NH+]4CCCC4

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)CN3CCC[C@@H](C3)[NH+]4CCCC4

InChI

InChI=1S/C19H32N4/c1-2-7-16(8-3-1)19-17(13-20-21-19)14-22-10-6-9-18(15-22)23-11-4-5-12-23/h13,16,18H,1-12,14-15H2,(H,20,21)/p+1/t18-/m0/s1