[(1R)-1-(3,4-dimethylphenyl)-2-(4-ethanoylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(1R)-1-(3,4-dimethylphenyl)-2-(4-ethanoylpiperazin-1-yl)ethyl]azanium Openeye Name: [(1R)-2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethylphenyl)ethyl]ammonium CAS Name: [(1R)-2-(4-acetyl-1-piperazinyl)-1-(3,4-dimethylphenyl)ethyl]ammonium IUPAC Name: [(1R)-2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethylphenyl)ethyl]azanium Traditional Name: [(1R)-2-(4-acetylpiperazino)-1-(3,4-dimethylphenyl)ethyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CN2CCN(CC2)C(=O)C)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](CN2CCN(CC2)C(=O)C)[NH3+])C

InChI

InChI=1S/C16H25N3O/c1-12-4-5-15(10-13(12)2)16(17)11-18-6-8-19(9-7-18)14(3)20/h4-5,10,16H,6-9,11,17H2,1-3H3/p+1/t16-/m0/s1