2-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazine

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CN=C4

Isomeric SMILES

C[NH+]1CCC[C@H]1CCN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C20H23N5/c1-24-11-3-6-18(24)7-12-25-13-8-19(23-25)16-4-2-5-17(14-16)20-15-21-9-10-22-20/h2,4-5,8-10,13-15,18H,3,6-7,11-12H2,1H3/p+1/t18-/m0/s1