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

Systemtic Name: (1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine Openeye Name: (1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine CAS Name: (1S)-2-[(2R,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-(4-propylphenyl)ethanamine IUPAC Name: (1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine Traditional Name: [(1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethyl]amine Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C[NH+]2C(CCCC2C)C)N

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](C[NH+]2[C@@H](CCC[C@@H]2C)C)N

InChI

InChI=1S/C18H30N2/c1-4-6-16-9-11-17(12-10-16)18(19)13-20-14(2)7-5-8-15(20)3/h9-12,14-15,18H,4-8,13,19H2,1-3H3/p+1/t14-,15+,18-/m1/s1