methyl-phenethyl-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: methyl-phenethyl-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]azanium Openeye Name: [(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: methyl-phenethyl-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidinyl]ammonium IUPAC Name: methyl-phenethyl-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]azanium Traditional Name: [(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C21H33N4+ MolecularWeight: 341.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NNC(=C1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N4/c1-17(2)21-14-19(22-23-21)15-25-12-7-10-20(16-25)24(3)13-11-18-8-5-4-6-9-18/h4-6,8-9,14,17,20H,7,10-13,15-16H2,1-3H3,(H,22,23)/p+1/t20-/m0/s1