[6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone Openeye Name: [6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone CAS Name: [6-ethyl-4-(4-ethyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]-phenylmethanone IUPAC Name: [6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenylmethanone Traditional Name: [6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone Formula: C24H29N3O+2 MolecularWeight: 375.50656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC

InChI

InChI=1S/C24H27N3O/c1-3-18-10-11-22-20(16-18)23(27-14-12-26(4-2)13-15-27)21(17-25-22)24(28)19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15H2,1-2H3/p+2