(4-ethoxyphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCC

InChI

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