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

Systemtic Name: 2-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C22H33N4+ MolecularWeight: 353.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H32N4/c1-17(2)12-20-13-21(24-23-20)15-25-10-5-8-22(16-25)26-11-9-18-6-3-4-7-19(18)14-26/h3-4,6-7,13,17,22H,5,8-12,14-16H2,1-2H3,(H,23,24)/p+1/t22-/m0/s1