7-[(4-phenylpiperazin-1-ium-1-yl)-thiophen-2-yl-methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[(4-phenylpiperazin-1-ium-1-yl)-thiophen-2-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(4-phenylpiperazin-1-ium-1-yl)-(2-thienyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[(4-phenyl-1-piperazin-1-iumyl)-thiophen-2-ylmethyl]-8-quinolin-1-iumol IUPAC Name: 7-[(4-phenylpiperazin-1-ium-1-yl)-thiophen-2-ylmethyl]quinolin-1-ium-8-ol Traditional Name: 7-[(4-phenylpiperazin-1-ium-1-yl)-(2-thienyl)methyl]quinolin-1-ium-8-ol Formula: C24H25N3OS+2 MolecularWeight: 403.5398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H23N3OS/c28-24-20(11-10-18-6-4-12-25-22(18)24)23(21-9-5-17-29-21)27-15-13-26(14-16-27)19-7-2-1-3-8-19/h1-12,17,23,28H,13-16H2/p+2