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

Systemtic Name: 1-(4-aminophenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-(4-aminophenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-(4-aminophenyl)-3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(4-aminophenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-(4-aminophenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)C3=CC=C(C=C3)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C21H27N3O/c1-16-4-3-5-20(17(16)2)24-14-12-23(13-15-24)11-10-21(25)18-6-8-19(22)9-7-18/h3-9H,10-15,22H2,1-2H3/p+1