3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one

Systemtic Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one Openeye Name: 6-benzyloxy-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one CAS Name: 3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one IUPAC Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one Traditional Name: 6-benzoxy-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-quinolone Formula: C24H31N3O2+2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3O2/c1-3-26-11-13-27(14-12-26)16-22-18(2)25-23-10-9-20(15-21(23)24(22)28)29-17-19-7-5-4-6-8-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,28)/p+2