N-[4-(4-chloranylphenoxy)phenyl]-4-(phenylmethyl)-1-pyridin-4-yl-piperazin-1-ium-1-carboxamide

Systemtic Name: N-[4-(4-chloranylphenoxy)phenyl]-4-(phenylmethyl)-1-pyridin-4-yl-piperazin-1-ium-1-carboxamide Openeye Name: 4-benzyl-N-[4-(4-chlorophenoxy)phenyl]-1-(4-pyridyl)piperazin-1-ium-1-carboxamide CAS Name: N-[4-(4-chlorophenoxy)phenyl]-4-(phenylmethyl)-1-pyridin-4-yl-1-piperazin-1-iumcarboxamide IUPAC Name: 4-benzyl-N-[4-(4-chlorophenoxy)phenyl]-1-pyridin-4-ylpiperazin-1-ium-1-carboxamide Traditional Name: 4-benzyl-N-[4-(4-chlorophenoxy)phenyl]-1-(4-pyridyl)piperazin-1-ium-1-carboxamide Formula: C29H28ClN4O2+ MolecularWeight: 500.01122

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1CC2=CC=CC=C2)(C3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C[N+](CCN1CC2=CC=CC=C2)(C3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H27ClN4O2/c30-24-6-10-27(11-7-24)36-28-12-8-25(9-13-28)32-29(35)34(26-14-16-31-17-15-26)20-18-33(19-21-34)22-23-4-2-1-3-5-23/h1-17H,18-22H2/p+1