(3R)-1-[(2S)-2-methylbutyl]-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3R)-1-[(2S)-2-methylbutyl]-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3R)-1-[(2S)-2-methylbutyl]-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3R)-1-[(2S)-2-methylbutyl]-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3R)-1-[(2S)-2-methylbutyl]-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3R)-1-[(2S)-2-methylbutyl]-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[NH+]1CCCC(C1)C2=C(C=NN2)C3=CC(=CC=C3)C

Isomeric SMILES

CC[C@H](C)C[NH+]1CCC[C@H](C1)C2=C(C=NN2)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H29N3/c1-4-15(2)13-23-10-6-9-18(14-23)20-19(12-21-22-20)17-8-5-7-16(3)11-17/h5,7-8,11-12,15,18H,4,6,9-10,13-14H2,1-3H3,(H,21,22)/p+1/t15-,18+/m0/s1