(2,6-dimethylphenyl)-[(3R)-3-methylpiperazin-4-ium-1-yl]methanone

Systemtic Name: (2,6-dimethylphenyl)-[(3R)-3-methylpiperazin-4-ium-1-yl]methanone Openeye Name: (2,6-dimethylphenyl)-[(3R)-3-methylpiperazin-4-ium-1-yl]methanone CAS Name: (2,6-dimethylphenyl)-[(3R)-3-methyl-1-piperazin-4-iumyl]methanone IUPAC Name: (2,6-dimethylphenyl)-[(3R)-3-methylpiperazin-4-ium-1-yl]methanone Traditional Name: (2,6-dimethylphenyl)-[(3R)-3-methylpiperazin-4-ium-1-yl]methanone Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C(=O)C2=C(C=CC=C2C)C

Isomeric SMILES

C[C@@H]1CN(CC[NH2+]1)C(=O)C2=C(C=CC=C2C)C

InChI

InChI=1S/C14H20N2O/c1-10-5-4-6-11(2)13(10)14(17)16-8-7-15-12(3)9-16/h4-6,12,15H,7-9H2,1-3H3/p+1/t12-/m1/s1