4-phenyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzamide

Systemtic Name: 4-phenyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzamide Openeye Name: 4-phenyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzamide CAS Name: 4-phenyl-N-[3-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenoxy]propyl]benzamide IUPAC Name: 4-phenyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzamide Traditional Name: 4-phenyl-N-[3-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenoxy]propyl]benzamide Formula: C31H34N5O2+ MolecularWeight: 508.63396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C31H33N5O2/c37-30(28-12-10-27(11-13-28)26-6-2-1-3-7-26)32-18-5-23-38-29-14-8-25(9-15-29)24-35-19-21-36(22-20-35)31-33-16-4-17-34-31/h1-4,6-17H,5,18-24H2,(H,32,37)/p+1