2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine

Systemtic Name: 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine Openeye Name: 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine CAS Name: 2,5-dimethyl-3-[3-[1-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolyl]phenyl]pyrazine IUPAC Name: 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine Traditional Name: 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC=CC(=C2)C3=NN(C=C3)CC[NH+]4CCCC4)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC=CC(=C2)C3=NN(C=C3)CC[NH+]4CCCC4)C

InChI

InChI=1S/C21H25N5/c1-16-15-22-17(2)21(23-16)19-7-5-6-18(14-19)20-8-11-26(24-20)13-12-25-9-3-4-10-25/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3/p+1