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

Systemtic Name: 2-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C24H35N4+ MolecularWeight: 379.5615

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCCC(C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H34N4/c1-2-8-20(9-3-1)24-22(15-25-26-24)16-27-13-6-11-23(18-27)28-14-12-19-7-4-5-10-21(19)17-28/h4-5,7,10,15,20,23H,1-3,6,8-9,11-14,16-18H2,(H,25,26)/p+1/t23-/m0/s1