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

Systemtic Name: (3S)-1-[(2-ethoxyphenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-[(2-ethoxyphenyl)methyl]-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-[(2-ethoxyphenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-[(2-ethoxyphenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-(2-ethoxybenzyl)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)C3=C(C=NN3)CC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)CC(C)C

InChI

InChI=1S/C21H31N3O/c1-4-25-20-10-6-5-8-17(20)14-24-11-7-9-18(15-24)21-19(12-16(2)3)13-22-23-21/h5-6,8,10,13,16,18H,4,7,9,11-12,14-15H2,1-3H3,(H,22,23)/p+1/t18-/m0/s1