N-[(1S)-1-(5-methyl-1-pyridin-2-yl-pyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(1S)-1-(5-methyl-1-pyridin-2-yl-pyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(1S)-1-[5-methyl-1-(2-pyridinyl)-4-pyrazolyl]ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(C)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)[C@H](C)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H29N5O/c1-18(22-16-26-29(19(22)2)23-8-4-5-13-25-23)27-24(30)21-11-9-20(10-12-21)17-28-14-6-3-7-15-28/h4-5,8-13,16,18H,3,6-7,14-15,17H2,1-2H3,(H,27,30)/p+1/t18-/m0/s1