(3S)-1-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-1-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]pyrrolidin-1-ium-3-ol Openeye Name: (3S)-1-[1-(4-pyrazol-1-ylphenyl)-4-piperidyl]pyrrolidin-1-ium-3-ol CAS Name: (3S)-1-[1-[4-(1-pyrazolyl)phenyl]-4-piperidinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S)-1-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]pyrrolidin-1-ium-3-ol Traditional Name: (3S)-1-[1-(4-pyrazol-1-ylphenyl)-4-piperidyl]pyrrolidin-1-ium-3-ol Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1O)C2CCN(CC2)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1C[NH+](C[C@H]1O)C2CCN(CC2)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C18H24N4O/c23-18-8-13-21(14-18)16-6-11-20(12-7-16)15-2-4-17(5-3-15)22-10-1-9-19-22/h1-5,9-10,16,18,23H,6-8,11-14H2/p+1/t18-/m0/s1