(3R)-3-(2-methylphenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (3R)-3-(2-methylphenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: (3R)-3-(o-tolyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: (3R)-3-(2-methylphenyl)-3-phenyl-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (3R)-3-(2-methylphenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: (3R)-3-(o-tolyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1[C@H](CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O/c1-20-7-5-6-10-23(20)24(21-8-3-2-4-9-21)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