(1S,2S)-1-(4-methylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-amine

Systemtic Name: (1S,2S)-1-(4-methylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-amine Openeye Name: (1S,2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(p-tolyl)propan-1-amine CAS Name: (1S,2S)-1-(4-methylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanamine IUPAC Name: (1S,2S)-1-(4-methylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-amine Traditional Name: [(1S,2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(p-tolyl)propyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(C2=CC=C(C=C2)C)N

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-12-6-8-15(9-7-12)16(17)14(3)18-10-4-5-13(2)11-18/h6-9,13-14,16H,4-5,10-11,17H2,1-3H3/p+1/t13-,14-,16+/m0/s1