(3S)-1-(4-methoxyphenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (3S)-1-(4-methoxyphenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (3S)-1-(4-methoxyphenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (3S)-1-(4-methoxyphenyl)-3-phenyl-3-(4-phenyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (3S)-1-(4-methoxyphenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (3S)-1-(4-methoxyphenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c1-30-24-14-12-22(13-15-24)26(29)20-25(21-8-4-2-5-9-21)28-18-16-27(17-19-28)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3/p+1/t25-/m0/s1