N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: 2-(4-propylpiperazine-1,4-diium-1-yl)-N-veratryl-acetamide Formula: C18H31N3O3+2 MolecularWeight: 337.45704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC[NH+](CC1)CC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC[NH+]1CC[NH+](CC1)CC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H29N3O3/c1-4-7-20-8-10-21(11-9-20)14-18(22)19-13-15-5-6-16(23-2)17(12-15)24-3/h5-6,12H,4,7-11,13-14H2,1-3H3,(H,19,22)/p+2