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

Systemtic Name: N-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c1-19(24-17-26-29(20(24)2)23-9-5-3-6-10-23)27-25(30)22-13-11-21(12-14-22)18-28-15-7-4-8-16-28/h3,5-6,9-14,17,19H,4,7-8,15-16,18H2,1-2H3,(H,27,30)/p+1/t19-/m0/s1