3,4-dihydro-2H-quinolin-1-yl-[1-(4-ethylpiperazin-4-ium-1-yl)isoquinolin-4-yl]methanone

Systemtic Name: 3,4-dihydro-2H-quinolin-1-yl-[1-(4-ethylpiperazin-4-ium-1-yl)isoquinolin-4-yl]methanone Openeye Name: 3,4-dihydro-2H-quinolin-1-yl-[1-(4-ethylpiperazin-4-ium-1-yl)-4-isoquinolyl]methanone CAS Name: 3,4-dihydro-2H-quinolin-1-yl-[1-(4-ethyl-1-piperazin-4-iumyl)-4-isoquinolinyl]methanone IUPAC Name: 3,4-dihydro-2H-quinolin-1-yl-[1-(4-ethylpiperazin-4-ium-1-yl)isoquinolin-4-yl]methanone Traditional Name: 3,4-dihydro-2H-quinolin-1-yl-[1-(4-ethylpiperazin-4-ium-1-yl)-4-isoquinolyl]methanone Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C25H28N4O/c1-2-27-14-16-28(17-15-27)24-21-11-5-4-10-20(21)22(18-26-24)25(30)29-13-7-9-19-8-3-6-12-23(19)29/h3-6,8,10-12,18H,2,7,9,13-17H2,1H3/p+1