[2-(4-ethylphenyl)-6-methyl-quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-(4-ethylphenyl)-6-methyl-quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(4-ethylphenyl)-6-methyl-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(4-ethylphenyl)-6-methyl-4-quinolinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(4-ethylphenyl)-6-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(4-ethylphenyl)-6-methyl-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)N4CC[NH+](CC4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)N4CC[NH+](CC4)CC

InChI

InChI=1S/C25H29N3O/c1-4-19-7-9-20(10-8-19)24-17-22(21-16-18(3)6-11-23(21)26-24)25(29)28-14-12-27(5-2)13-15-28/h6-11,16-17H,4-5,12-15H2,1-3H3/p+1