[4-[3-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[3-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[3-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]phenyl]-phenyl-methanone CAS Name: [4-[3-[4-(2,4-dimethylphenyl)-1-piperazin-1-iumyl]-2-hydroxypropoxy]phenyl]-phenylmethanone IUPAC Name: [4-[3-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone Traditional Name: [4-[3-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]phenyl]-phenyl-methanone Formula: C28H33N2O3+ MolecularWeight: 445.57322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O)C

InChI

InChI=1S/C28H32N2O3/c1-21-8-13-27(22(2)18-21)30-16-14-29(15-17-30)19-25(31)20-33-26-11-9-24(10-12-26)28(32)23-6-4-3-5-7-23/h3-13,18,25,31H,14-17,19-20H2,1-2H3/p+1