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

Systemtic Name: (4-ethoxyphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-quinolin-1-ium-3-yl]methanone Openeye Name: (4-ethoxyphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-quinolin-1-ium-3-yl]methanone CAS Name: (4-ethoxyphenyl)-[4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-3-quinolin-1-iumyl]methanone IUPAC Name: (4-ethoxyphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methylquinolin-1-ium-3-yl]methanone Traditional Name: [4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-quinolin-1-ium-3-yl]-p-phenetyl-methanone Formula: C25H31N3O2+2 MolecularWeight: 405.53254

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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-4-27-12-14-28(15-13-27)24-21-16-18(3)6-11-23(21)26-17-22(24)25(29)19-7-9-20(10-8-19)30-5-2/h6-11,16-17H,4-5,12-15H2,1-3H3/p+2