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

Systemtic Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propoxyphenyl)ethanamine Openeye Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propoxyphenyl)ethanamine CAS Name: (1S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-(4-propoxyphenyl)ethanamine IUPAC Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propoxyphenyl)ethanamine Traditional Name: [(1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propoxyphenyl)ethyl]amine Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C[NH+]2CC(CC(C2)C)C)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](C[NH+]2C[C@@H](C[C@H](C2)C)C)N

InChI

InChI=1S/C18H30N2O/c1-4-9-21-17-7-5-16(6-8-17)18(19)13-20-11-14(2)10-15(3)12-20/h5-8,14-15,18H,4,9-13,19H2,1-3H3/p+1/t14-,15-,18-/m1/s1