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

Systemtic Name: (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium Openeye Name: (3S)-3-(4-isobutyl-1H-pyrazol-5-yl)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium CAS Name: (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(5-methyl-2-thiophenyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium Traditional Name: (3S)-3-(4-isobutyl-1H-pyrazol-5-yl)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium Formula: C18H28N3S+ MolecularWeight: 318.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCCC(C2)C3=C(C=NN3)CC(C)C

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)CC(C)C

InChI

InChI=1S/C18H27N3S/c1-13(2)9-16-10-19-20-18(16)15-5-4-8-21(11-15)12-17-7-6-14(3)22-17/h6-7,10,13,15H,4-5,8-9,11-12H2,1-3H3,(H,19,20)/p+1/t15-/m0/s1