(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(quinolin-8-ylmethyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(quinolin-8-ylmethyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(8-quinolylmethyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(8-quinolinylmethyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(quinolin-8-ylmethyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(8-quinolylmethyl)piperidin-1-ium-2-carboxamide Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCC[NH+]3CC4=CC=CC5=C4N=CC=C5)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[NH+]3CC4=CC=CC5=C4N=CC=C5)C

InChI

InChI=1S/C27H29N5O/c1-19-17-20(2)32(30-19)24-13-11-23(12-14-24)29-27(33)25-10-3-4-16-31(25)18-22-8-5-7-21-9-6-15-28-26(21)22/h5-9,11-15,17,25H,3-4,10,16,18H2,1-2H3,(H,29,33)/p+1/t25-/m0/s1