[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=C(NN=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=C(NN=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H32N4O/c1-28(16-14-20-7-4-3-5-8-20)23-9-6-15-29(19-23)18-22-17-26-27-25(22)21-10-12-24(30-2)13-11-21/h3-5,7-8,10-13,17,23H,6,9,14-16,18-19H2,1-2H3,(H,26,27)/p+1/t23-/m0/s1