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

Systemtic Name: 7-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)-thiophen-2-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 7-[[4-(2-pyridyl)piperazin-1-ium-1-yl]-(2-thienyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[[4-(2-pyridinyl)-1-piperazin-1-iumyl]-thiophen-2-ylmethyl]-8-quinolin-1-iumol IUPAC Name: 7-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)-thiophen-2-ylmethyl]quinolin-1-ium-8-ol Traditional Name: 7-[[4-(2-pyridyl)piperazin-1-ium-1-yl]-(2-thienyl)methyl]quinolin-1-ium-8-ol Formula: C23H24N4OS+2 MolecularWeight: 404.52786

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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=N5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)C4=CC=CS4)C5=CC=CC=N5

InChI

InChI=1S/C23H22N4OS/c28-23-18(9-8-17-5-3-11-25-21(17)23)22(19-6-4-16-29-19)27-14-12-26(13-15-27)20-7-1-2-10-24-20/h1-11,16,22,28H,12-15H2/p+2