(3S)-1-(3-methylbutyl)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3S)-1-(3-methylbutyl)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-isopentyl-3-[4-(p-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-1-(3-methylbutyl)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-(3-methylbutyl)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-isoamyl-3-[4-(p-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NN=C2)C3CCC[NH+](C3)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CCC(C)C

InChI

InChI=1S/C20H29N3/c1-15(2)10-12-23-11-4-5-18(14-23)20-19(13-21-22-20)17-8-6-16(3)7-9-17/h6-9,13,15,18H,4-5,10-12,14H2,1-3H3,(H,21,22)/p+1/t18-/m0/s1