(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

Systemtic Name: (2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine Openeye Name: (2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine CAS Name: (2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]ethanamine IUPAC Name: (2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine Traditional Name: [(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-[(1,3,5-trimethylpyrazol-4-yl)methyl]amine Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C20H30N4O/c1-15-19(16(2)23(3)22-15)13-21-14-20(24-11-5-6-12-24)17-7-9-18(25-4)10-8-17/h7-10,20-21H,5-6,11-14H2,1-4H3/p+1/t20-/m1/s1