(1S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine

Systemtic Name: (1S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine Openeye Name: (1S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine CAS Name: (1S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-(2,4,6-trimethylphenyl)ethanamine IUPAC Name: (1S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine Traditional Name: [(1S)-1-mesityl-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]amine Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(C2=C(C=C(C=C2C)C)C)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@H](C2=C(C=C(C=C2C)C)C)N

InChI

InChI=1S/C17H28N2/c1-12-6-5-7-19(10-12)11-16(18)17-14(3)8-13(2)9-15(17)4/h8-9,12,16H,5-7,10-11,18H2,1-4H3/p+1/t12-,16+/m0/s1