ethyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C21H34N5+ MolecularWeight: 356.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CCCC(C2)[NH+](CC)CC3=CC=NC=C3

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CCC[C@@H](C2)[NH+](CC)CC3=CC=NC=C3

InChI

InChI=1S/C21H33N5/c1-4-12-26-16-20(18(3)23-26)15-24-13-6-7-21(17-24)25(5-2)14-19-8-10-22-11-9-19/h8-11,16,21H,4-7,12-15,17H2,1-3H3/p+1/t21-/m0/s1