[6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone Openeye Name: [6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone CAS Name: [6-ethoxy-4-(4-ethyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]-phenylmethanone IUPAC Name: [6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenylmethanone Traditional Name: [6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone Formula: C24H29N3O2+2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=CC=C4)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=CC=C4)OCC

InChI

InChI=1S/C24H27N3O2/c1-3-26-12-14-27(15-13-26)23-20-16-19(29-4-2)10-11-22(20)25-17-21(23)24(28)18-8-6-5-7-9-18/h5-11,16-17H,3-4,12-15H2,1-2H3/p+2