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

Systemtic Name: (2R)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: (2R)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: (2R)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: (2R)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNCC(C3=CC=CC=C3OC)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC[C@@H](C3=CC=CC=C3OC)[NH+]4CCCC4

InChI

InChI=1S/C25H32N4O/c1-19-23(20(2)29(27-19)21-11-5-4-6-12-21)17-26-18-24(28-15-9-10-16-28)22-13-7-8-14-25(22)30-3/h4-8,11-14,24,26H,9-10,15-18H2,1-3H3/p+1/t24-/m0/s1