(1S)-1-(3,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamine

Systemtic Name: (1S)-1-(3,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamine Openeye Name: (1S)-1-(3,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamine CAS Name: (1S)-1-(3,4-dimethylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethanamine IUPAC Name: (1S)-1-(3,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamine Traditional Name: [(1S)-1-(3,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(C2=CC(=C(C=C2)C)C)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@H](C2=CC(=C(C=C2)C)C)N

InChI

InChI=1S/C16H26N2/c1-12-5-4-8-18(10-12)11-16(17)15-7-6-13(2)14(3)9-15/h6-7,9,12,16H,4-5,8,10-11,17H2,1-3H3/p+1/t12-,16+/m0/s1