4-[(2R,6R)-2,6-dimethylpiperazin-1-ium-1-yl]-N,N-diethyl-aniline

Systemtic Name: 4-[(2R,6R)-2,6-dimethylpiperazin-1-ium-1-yl]-N,N-diethyl-aniline Openeye Name: 4-[(2R,6R)-2,6-dimethylpiperazin-1-ium-1-yl]-N,N-diethyl-aniline CAS Name: 4-[(2R,6R)-2,6-dimethyl-1-piperazin-1-iumyl]-N,N-diethylaniline IUPAC Name: 4-[(2R,6R)-2,6-dimethylpiperazin-1-ium-1-yl]-N,N-diethylaniline Traditional Name: [4-[(2R,6R)-2,6-dimethylpiperazin-1-ium-1-yl]phenyl]-diethyl-amine Formula: C16H28N3+ MolecularWeight: 262.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)[NH+]2C(CNCC2C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[NH+]2[C@@H](CNC[C@H]2C)C

InChI

InChI=1S/C16H27N3/c1-5-18(6-2)15-7-9-16(10-8-15)19-13(3)11-17-12-14(19)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3/p+1/t13-,14-/m1/s1