4-methoxy-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide

Systemtic Name: 4-methoxy-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: 4-methoxy-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide CAS Name: 4-methoxy-1-phenyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 4-methoxy-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: 4-methoxy-1-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazole-3-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-30-22-18-28(21-8-4-2-5-9-21)26-23(22)24(29)25-16-19-10-12-20(13-11-19)17-27-14-6-3-7-15-27/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,25,29)/p+1