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

Systemtic Name: 7-[(4-methylpiperazine-1,4-diium-1-yl)-thiophen-2-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(4-methylpiperazine-1,4-diium-1-yl)-(2-thienyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[(4-methyl-1-piperazine-1,4-diiumyl)-thiophen-2-ylmethyl]-8-quinolin-1-iumol IUPAC Name: 7-[(4-methylpiperazine-1,4-diium-1-yl)-thiophen-2-ylmethyl]quinolin-1-ium-8-ol Traditional Name: 7-[(4-methylpiperazine-1,4-diium-1-yl)-(2-thienyl)methyl]quinolin-1-ium-8-ol Formula: C19H24N3OS+3 MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)C4=CC=CS4

InChI

InChI=1S/C19H21N3OS/c1-21-9-11-22(12-10-21)18(16-5-3-13-24-16)15-7-6-14-4-2-8-20-17(14)19(15)23/h2-8,13,18,23H,9-12H2,1H3/p+3