4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-8-ethyl-quinolin-1-ium-3-carbonitrile

Systemtic Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-8-ethyl-quinolin-1-ium-3-carbonitrile Openeye Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-8-ethyl-quinolin-1-ium-3-carbonitrile CAS Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-8-ethyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-8-ethylquinolin-1-ium-3-carbonitrile Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazino]-8-ethyl-quinolin-1-ium-3-carbonitrile Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=C[NH+]=C21)C#N)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CCC1=CC=CC2=C(C(=C[NH+]=C21)C#N)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H26N4O/c1-2-19-4-3-5-22-24(19)27-16-21(15-26)25(22)29-11-9-28(10-12-29)17-18-6-7-23-20(14-18)8-13-30-23/h3-7,14,16H,2,8-13,17H2,1H3/p+1