2-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC(C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H30N4O/c1-30-24-10-8-20(9-11-24)25-22(15-26-27-25)16-28-13-4-7-23(18-28)29-14-12-19-5-2-3-6-21(19)17-29/h2-3,5-6,8-11,15,23H,4,7,12-14,16-18H2,1H3,(H,26,27)/p+1/t23-/m0/s1