N-[[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-2-29-19-21(16-27-29)18-28-14-6-7-20(17-28)15-26-25(30)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-13,16,19-20H,2,6-7,14-15,17-18H2,1H3,(H,26,30)/p+1/t20-/m1/s1