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

Systemtic Name: N-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-[(1,3-dimethylpyrazol-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:

CC1=NN(C=C1C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

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