(2S)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: (2S)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: (2S)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: (2S)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: (2S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC[C@@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C22H28N4O/c1-17-20(18(2)26(24-17)19-9-4-3-5-10-19)15-23-16-21(22-11-8-14-27-22)25-12-6-7-13-25/h3-5,8-11,14,21,23H,6-7,12-13,15-16H2,1-2H3/p+1/t21-/m0/s1