1-(phenylmethyl)-3-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]urea

Systemtic Name: 1-(phenylmethyl)-3-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]urea Openeye Name: 1-benzyl-3-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]urea CAS Name: 1-(phenylmethyl)-3-[[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]methyl]urea IUPAC Name: 1-benzyl-3-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]urea Traditional Name: 1-benzyl-3-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzyl]urea Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2CNC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2CNC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O/c31-26(27-19-22-9-3-1-4-10-22)28-20-23-11-7-8-12-24(23)21-29-15-17-30(18-16-29)25-13-5-2-6-14-25/h1-14H,15-21H2,(H2,27,28,31)/p+1