N-(3,5-dimethoxyphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,5-dimethoxyphenyl)propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,5-dimethoxyphenyl)propionamide Formula: C22H31N3O3+2 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-27-20-14-19(15-21(16-20)28-2)23-22(26)8-9-24-10-12-25(13-11-24)17-18-6-4-3-5-7-18/h3-7,14-16H,8-13,17H2,1-2H3,(H,23,26)/p+2