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

Systemtic Name: 3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)azanium Openeye Name: 3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)ammonium CAS Name: 3-(7-benzo[b][1,10]phenanthrolin-1-iumylamino)propyl-(2-chloroethyl)ammonium IUPAC Name: 3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)azanium Traditional Name: 3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)ammonium Formula: C21H23ClN4+2 MolecularWeight: 366.88712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=N2)[NH+]=CC=C4)NCCC[NH2+]CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=N2)[NH+]=CC=C4)NCCC[NH2+]CCCl

InChI

InChI=1S/C21H21ClN4/c22-10-14-23-11-4-13-25-20-16-6-1-2-7-18(16)26-21-17(20)9-8-15-5-3-12-24-19(15)21/h1-3,5-9,12,23H,4,10-11,13-14H2,(H,25,26)/p+2