(3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-quinolin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-quinolin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-quinolin-1-ium-3-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-3-quinolin-1-iumyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methylquinolin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-quinolin-1-ium-3-yl]methanone Formula: C25H31N3O+2 MolecularWeight: 389.53314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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