methyl-phenethyl-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: methyl-phenethyl-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]azanium Openeye Name: [(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: methyl-phenethyl-[(3S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]ammonium IUPAC Name: methyl-phenethyl-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]azanium Traditional Name: [(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C21H33N4+ MolecularWeight: 341.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=C(C=N1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N4/c1-18(2)25-16-20(14-22-25)15-24-12-7-10-21(17-24)23(3)13-11-19-8-5-4-6-9-19/h4-6,8-9,14,16,18,21H,7,10-13,15,17H2,1-3H3/p+1/t21-/m0/s1