[(3S)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[(5-carbethoxy-1H-pyrazol-4-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2/c1-3-27-21(26)20-18(14-22-23-20)15-25-12-7-10-19(16-25)24(2)13-11-17-8-5-4-6-9-17/h4-6,8-9,14,19H,3,7,10-13,15-16H2,1-2H3,(H,22,23)/p+1/t19-/m0/s1