5-chloranyl-7-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-3-yl-methyl]quinolin-8-ol

Systemtic Name: 5-chloranyl-7-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-3-yl-methyl]quinolin-8-ol Openeye Name: 5-chloro-7-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-(3-pyridyl)methyl]quinolin-8-ol CAS Name: 5-chloro-7-[(R)-(4-ethyl-1-piperazine-1,4-diiumyl)-(3-pyridinyl)methyl]-8-quinolinol IUPAC Name: 5-chloro-7-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol Traditional Name: 5-chloro-7-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-(3-pyridyl)methyl]quinolin-8-ol Formula: C21H25ClN4O+2 MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl

InChI

InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3/p+2/t20-/m1/s1