(3R)-3-(4-methoxyphenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (3R)-3-(4-methoxyphenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: (3R)-3-(4-methoxyphenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: (3R)-3-(4-methoxyphenyl)-3-phenyl-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (3R)-3-(4-methoxyphenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: (3R)-3-(4-methoxyphenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c1-30-23-9-7-21(8-10-23)24(20-5-3-2-4-6-20)19-25(29)28-17-15-27(16-18-28)22-11-13-26-14-12-22/h2-14,24H,15-19H2,1H3/p+1/t24-/m1/s1