dimethyl-[(3S)-1-[5-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]carbonylpyridin-2-yl]pyrrolidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[5-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]carbonylpyridin-2-yl]pyrrolidin-3-yl]azanium Openeye Name: dimethyl-[(3S)-1-[5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-2-pyridyl]pyrrolidin-3-yl]ammonium CAS Name: dimethyl-[(3S)-1-[5-[oxo-[4-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]methyl]-2-pyridinyl]-3-pyrrolidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-[5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyridin-2-yl]pyrrolidin-3-yl]azanium Traditional Name: dimethyl-[(3S)-1-[5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-2-pyridyl]pyrrolidin-3-yl]ammonium Formula: C22H33N6O+ MolecularWeight: 397.53702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)C2=NC=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)C2=NC=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

InChI

InChI=1S/C22H32N6O/c1-25(2)20-9-14-27(17-20)21-5-4-19(16-23-21)22(29)26-12-6-18(7-13-26)8-15-28-11-3-10-24-28/h3-5,10-11,16,18,20H,6-9,12-15,17H2,1-2H3/p+1/t20-/m0/s1