3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-benzo[h]quinolin-1-ium-4-ol

Systemtic Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-benzo[h]quinolin-1-ium-4-ol Openeye Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-benzo[h]quinolin-1-ium-4-ol CAS Name: 3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-methyl-4-benzo[h]quinolin-1-iumol IUPAC Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methylbenzo[h]quinolin-1-ium-4-ol Traditional Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-benzo[h]quinolin-1-ium-4-ol Formula: C21H28N3O+3 MolecularWeight: 338.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C3=C(C4=CC=CC=C4C=C3)[NH+]=C2C)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C3=C(C4=CC=CC=C4C=C3)[NH+]=C2C)O

InChI

InChI=1S/C21H25N3O/c1-3-23-10-12-24(13-11-23)14-19-15(2)22-20-17-7-5-4-6-16(17)8-9-18(20)21(19)25/h4-9H,3,10-14H2,1-2H3,(H,22,25)/p+3