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

Systemtic Name: [6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Openeye Name: [6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone CAS Name: [6-ethoxy-4-(4-ethyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Traditional Name: [6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Formula: C25H31N3O3+2 MolecularWeight: 421.53194

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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=C(C=C4)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-4-27-12-14-28(15-13-27)24-21-16-20(31-5-2)10-11-23(21)26-17-22(24)25(29)18-6-8-19(30-3)9-7-18/h6-11,16-17H,4-5,12-15H2,1-3H3/p+2