(1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-phenyl-butan-1-amine

Systemtic Name: (1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-phenyl-butan-1-amine Openeye Name: (1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-phenyl-butan-1-amine CAS Name: (1R,2R)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-3-methyl-1-phenyl-1-butanamine IUPAC Name: (1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-phenylbutan-1-amine Traditional Name: [(1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-phenyl-butyl]amine Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C(C)C)C(C2=CC=CC=C2)N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-13(2)18(17(19)16-8-6-5-7-9-16)20-11-14(3)10-15(4)12-20/h5-9,13-15,17-18H,10-12,19H2,1-4H3/p+1/t14-,15+,17-,18-/m1/s1