2-methyl-6-phenylmethoxy-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one

Systemtic Name: 2-methyl-6-phenylmethoxy-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 6-benzyloxy-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 2-methyl-6-phenylmethoxy-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 2-methyl-6-phenylmethoxy-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 6-benzoxy-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-quinolone Formula: C28H30N3O2+ MolecularWeight: 440.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2/c1-21-26(19-30-14-16-31(17-15-30)23-10-6-3-7-11-23)28(32)25-18-24(12-13-27(25)29-21)33-20-22-8-4-2-5-9-22/h2-13,18H,14-17,19-20H2,1H3,(H,29,32)/p+1