1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C22H30N5+ MolecularWeight: 364.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)C3=C(C=NN3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)C3=C(C=NN3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H29N5/c1-17-21(15-26(2)25-17)16-27-12-10-19(11-13-27)22-20(14-23-24-22)9-8-18-6-4-3-5-7-18/h3-7,14-15,19H,8-13,16H2,1-2H3,(H,23,24)/p+1