3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)-ethyl-azanium

Systemtic Name: 3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)-ethyl-azanium Openeye Name: 3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)-ethyl-ammonium CAS Name: 3-(7-benzo[b][1,10]phenanthrolin-1-iumylamino)propyl-(2-chloroethyl)-ethylammonium IUPAC Name: 3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)-ethylazanium Traditional Name: 3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)-ethyl-ammonium Formula: C23H27ClN4+2 MolecularWeight: 394.94028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCNC1=C2C=CC3=C(C2=NC4=CC=CC=C41)[NH+]=CC=C3)CCCl

Isomeric SMILES

CC[NH+](CCCNC1=C2C=CC3=C(C2=NC4=CC=CC=C41)[NH+]=CC=C3)CCCl

InChI

InChI=1S/C23H25ClN4/c1-2-28(16-12-24)15-6-14-26-22-18-8-3-4-9-20(18)27-23-19(22)11-10-17-7-5-13-25-21(17)23/h3-5,7-11,13H,2,6,12,14-16H2,1H3,(H,26,27)/p+2