3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propionamide Formula: C28H37N4O2+ MolecularWeight: 461.61898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C28H36N4O2/c1-21-26(22(2)32(30-21)24-10-6-4-7-11-24)16-17-28(33)29-20-27(31-18-8-5-9-19-31)23-12-14-25(34-3)15-13-23/h4,6-7,10-15,27H,5,8-9,16-20H2,1-3H3,(H,29,33)/p+1/t27-/m1/s1