3-(2-methylpropoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-isobutoxy-benzamide CAS Name: 3-(2-methylpropoxy)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-isobutoxy-benzamide Formula: C28H34N3O2+ MolecularWeight: 444.58846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O2/c1-22(2)21-33-27-10-6-9-24(19-27)28(32)29-25-11-13-26(14-12-25)31-17-15-30(16-18-31)20-23-7-4-3-5-8-23/h3-14,19,22H,15-18,20-21H2,1-2H3,(H,29,32)/p+1