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

Systemtic Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)CN3CCCC(C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)CN3CCC[C@@H](C3)[NH+]4CCCC4

InChI

InChI=1S/C20H28N4O/c1-25-19-8-6-16(7-9-19)20-17(13-21-22-20)14-23-10-4-5-18(15-23)24-11-2-3-12-24/h6-9,13,18H,2-5,10-12,14-15H2,1H3,(H,21,22)/p+1/t18-/m0/s1