2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine

Systemtic Name: 2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine Openeye Name: 2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine CAS Name: 2-[3-[1-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]pyrazine IUPAC Name: 2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine Traditional Name: 2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine Formula: C20H24N5+ MolecularWeight: 334.43806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CN=C4

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C20H23N5/c1-24-10-3-4-16(14-24)15-25-11-7-19(23-25)17-5-2-6-18(12-17)20-13-21-8-9-22-20/h2,5-9,11-13,16H,3-4,10,14-15H2,1H3/p+1/t16-/m0/s1