5-chloranyl-7-[(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-ol

Systemtic Name: 5-chloranyl-7-[(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-ol Openeye Name: 5-chloro-7-[(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-ol CAS Name: 5-chloro-7-[(4-methoxyphenyl)-(4-methyl-1-piperazine-1,4-diiumyl)methyl]-8-quinolin-1-iumol IUPAC Name: 5-chloro-7-[(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-ol Traditional Name: 5-chloro-7-[(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-ol Formula: C22H27ClN3O2+3 MolecularWeight: 400.92168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(C2=CC=C(C=C2)OC)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C(C2=CC=C(C=C2)OC)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

InChI

InChI=1S/C22H24ClN3O2/c1-25-10-12-26(13-11-25)21(15-5-7-16(28-2)8-6-15)18-14-19(23)17-4-3-9-24-20(17)22(18)27/h3-9,14,21,27H,10-13H2,1-2H3/p+3