(4-ethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium-3-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium-3-yl]methanone Openeye Name: (4-ethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium-3-yl]methanone CAS Name: (4-ethylphenyl)-[4-(4-ethyl-1-piperazin-4-iumyl)-6-methoxy-3-quinolin-1-iumyl]methanone IUPAC Name: (4-ethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxyquinolin-1-ium-3-yl]methanone Traditional Name: (4-ethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium-3-yl]methanone Formula: C25H31N3O2+2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)CC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)CC)OC

InChI

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