N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C24H29N4O+ MolecularWeight: 389.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O/c1-26(17-21-16-25-28(19-21)23-8-4-2-5-9-23)24(29)22-12-10-20(11-13-22)18-27-14-6-3-7-15-27/h2,4-5,8-13,16,19H,3,6-7,14-15,17-18H2,1H3/p+1