7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-phenyl-methyl]quinolin-8-olate

Systemtic Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-phenyl-methyl]quinolin-8-olate Openeye Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-phenyl-methyl]quinolin-8-olate CAS Name: 7-[(S)-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-phenylmethyl]-8-quinolinolate IUPAC Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-phenylmethyl]quinolin-8-olate Traditional Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-phenyl-methyl]quinolin-8-olate Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)[O-])CCO

InChI

InChI=1S/C22H25N3O2/c26-16-15-24-11-13-25(14-12-24)21(18-5-2-1-3-6-18)19-9-8-17-7-4-10-23-20(17)22(19)27/h1-10,21,26-27H,11-16H2/t21-/m0/s1