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

Systemtic Name: 4-methoxy-1-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: 4-methoxy-1-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide CAS Name: 4-methoxy-1-phenyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 4-methoxy-1-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: 4-methoxy-1-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazole-3-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-29-21-17-27(20-7-3-2-4-8-20)25-22(21)23(28)24-15-18-9-11-19(12-10-18)16-26-13-5-6-14-26/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,24,28)/p+1