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

Systemtic Name: 2-[(3S)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[[1-(2-methoxyphenyl)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=CC=C1N2C=C(C=N2)C[NH+]3CCCC(C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C=N2)C[NH+]3CCC[C@@H](C3)N4CCC5=CC=CC=C5C4

InChI

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