(3S)-N-[(1-phenylpyrazol-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3S)-N-[(1-phenylpyrazol-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-[(1-phenylpyrazol-4-yl)methyl]quinuclidin-1-ium-3-amine CAS Name: (3S)-N-[(1-phenyl-4-pyrazolyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-[(1-phenylpyrazol-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (1-phenylpyrazol-4-yl)methyl-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C17H23N4+ MolecularWeight: 283.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C17H22N4/c1-2-4-16(5-3-1)21-12-14(11-19-21)10-18-17-13-20-8-6-15(17)7-9-20/h1-5,11-12,15,17-18H,6-10,13H2/p+1/t17-/m1/s1