(1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine

Systemtic Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine Openeye Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine CAS Name: (1S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-(4-propylphenyl)ethanamine IUPAC Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine Traditional Name: [(1S)-2-[(3R,5R)-3,5-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+]2CC(CC(C2)C)C)N

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](C[NH+]2C[C@@H](C[C@H](C2)C)C)N

InChI

InChI=1S/C18H30N2/c1-4-5-16-6-8-17(9-7-16)18(19)13-20-11-14(2)10-15(3)12-20/h6-9,14-15,18H,4-5,10-13,19H2,1-3H3/p+1/t14-,15-,18-/m1/s1