methyl-[(3R,4R)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-oxidanyl-piperidin-4-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3R,4R)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-oxidanyl-piperidin-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-4-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-4-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H34N5O+ MolecularWeight: 372.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CCC(C(C2)O)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CC[C@H]([C@@H](C2)O)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H33N5O/c1-4-11-26-15-18(17(2)23-26)14-25-13-9-20(21(27)16-25)24(3)12-8-19-7-5-6-10-22-19/h5-7,10,15,20-21,27H,4,8-9,11-14,16H2,1-3H3/p+1/t20-,21-/m1/s1