(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H34N4O/c1-20-8-7-11-24(21(20)2)28-16-12-26(13-17-28)22(3)25(30)29-18-14-27(15-19-29)23-9-5-4-6-10-23/h4-11,22H,12-19H2,1-3H3/p+1/t22-/m1/s1