3-[4-[3-(3-methoxyphenyl)propyl]piperazin-4-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[3-(3-methoxyphenyl)propyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[3-(3-methoxyphenyl)propyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[3-(3-methoxyphenyl)propyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[3-(3-methoxyphenyl)propyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[3-(3-methoxyphenyl)propyl]piperazin-4-ium-1-yl]propylammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC[NH+]2CCN(CC2)CCC[NH3+]

Isomeric SMILES

COC1=CC=CC(=C1)CCC[NH+]2CCN(CC2)CCC[NH3+]

InChI

InChI=1S/C17H29N3O/c1-21-17-7-2-5-16(15-17)6-3-9-19-11-13-20(14-12-19)10-4-8-18/h2,5,7,15H,3-4,6,8-14,18H2,1H3/p+2