4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

InChI

InChI=1S/C25H30N4O2/c1-18-16-19(2)29(27-18)22-10-6-21(7-11-22)25(30)26-17-24(28-14-4-5-15-28)20-8-12-23(31-3)13-9-20/h6-13,16,24H,4-5,14-15,17H2,1-3H3,(H,26,30)/p+1/t24-/m1/s1