[4-[4-(2-ethylhexanoyl)piperazin-1-yl]-2-(2-ethylhexoxy)phenyl]iminoazanium

Systemtic Name: [4-[4-(2-ethylhexanoyl)piperazin-1-yl]-2-(2-ethylhexoxy)phenyl]iminoazanium Openeye Name: [4-[4-(2-ethylhexanoyl)piperazin-1-yl]-2-(2-ethylhexoxy)phenyl]iminoammonium CAS Name: [2-(2-ethylhexoxy)-4-[4-(2-ethyl-1-oxohexyl)-1-piperazinyl]phenyl]iminoammonium IUPAC Name: [4-[4-(2-ethylhexanoyl)piperazin-1-yl]-2-(2-ethylhexoxy)phenyl]iminoazanium Traditional Name: [4-[4-(2-ethylhexanoyl)piperazino]-2-(2-ethylhexoxy)phenyl]iminoammonium Formula: C26H45N4O2+ MolecularWeight: 445.6611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C(CC)CCCC)N=[NH2+]

Isomeric SMILES

CCCCC(CC)COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C(CC)CCCC)N=[NH2+]

InChI

InChI=1S/C26H44N4O2/c1-5-9-11-21(7-3)20-32-25-19-23(13-14-24(25)28-27)29-15-17-30(18-16-29)26(31)22(8-4)12-10-6-2/h13-14,19,21-22,27H,5-12,15-18,20H2,1-4H3/p+1