(4-methoxyphenyl)-[6-methoxy-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[6-methoxy-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]methanone Openeye Name: (4-methoxyphenyl)-[6-methoxy-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]methanone CAS Name: (4-methoxyphenyl)-[6-methoxy-4-(4-phenyl-1-piperazinyl)-3-quinolin-1-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[6-methoxy-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]methanone Traditional Name: (4-methoxyphenyl)-[6-methoxy-4-(4-phenylpiperazino)quinolin-1-ium-3-yl]methanone Formula: C28H28N3O3+ MolecularWeight: 454.54022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N3O3/c1-33-22-10-8-20(9-11-22)28(32)25-19-29-26-13-12-23(34-2)18-24(26)27(25)31-16-14-30(15-17-31)21-6-4-3-5-7-21/h3-13,18-19H,14-17H2,1-2H3/p+1