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

Systemtic Name: (1R,2R)-3-methyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-butan-1-amine Openeye Name: (1R,2R)-3-methyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-butan-1-amine CAS Name: (1R,2R)-3-methyl-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-phenyl-1-butanamine IUPAC Name: (1R,2R)-3-methyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenylbutan-1-amine Traditional Name: [(1R,2R)-3-methyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-butyl]amine Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C(C)C)C(C2=CC=CC=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-13(2)17(19-12-8-7-9-14(19)3)16(18)15-10-5-4-6-11-15/h4-6,10-11,13-14,16-17H,7-9,12,18H2,1-3H3/p+1/t14-,16+,17+/m0/s1