N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-carboxamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)C[C@@H](C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O/c1-19(22-7-5-4-6-8-22)18-29-15-13-23(14-16-29)26(31)27-24-9-11-25(12-10-24)30-21(3)17-20(2)28-30/h4-12,17,19,23H,13-16,18H2,1-3H3,(H,27,31)/p+1/t19-/m1/s1