(1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-ethylphenyl)ethanamine

Systemtic Name: (1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-ethylphenyl)ethanamine Openeye Name: (1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-ethylphenyl)ethanamine CAS Name: (1S)-2-[(2R,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-(4-ethylphenyl)ethanamine IUPAC Name: (1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-ethylphenyl)ethanamine Traditional Name: [(1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-ethylphenyl)ethyl]amine Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH+]2C(CCCC2C)C)N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C[NH+]2[C@@H](CCC[C@@H]2C)C)N

InChI

InChI=1S/C17H28N2/c1-4-15-8-10-16(11-9-15)17(18)12-19-13(2)6-5-7-14(19)3/h8-11,13-14,17H,4-7,12,18H2,1-3H3/p+1/t13-,14+,17-/m1/s1