2,5-dimethyl-3-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine

Systemtic Name: 2,5-dimethyl-3-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine Openeye Name: 2,5-dimethyl-3-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine CAS Name: 2,5-dimethyl-3-[3-[1-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]pyrazine IUPAC Name: 2,5-dimethyl-3-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine Traditional Name: 2,5-dimethyl-3-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC=CC(=C2)C3=NN(C=C3)CC4CCC[NH+](C4)C)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC=CC(=C2)C3=NN(C=C3)C[C@H]4CCC[NH+](C4)C)C

InChI

InChI=1S/C22H27N5/c1-16-13-23-17(2)22(24-16)20-8-4-7-19(12-20)21-9-11-27(25-21)15-18-6-5-10-26(3)14-18/h4,7-9,11-13,18H,5-6,10,14-15H2,1-3H3/p+1/t18-/m0/s1