(1S)-2-piperidin-1-ium-1-yl-1-(4-propan-2-ylphenyl)ethanamine

Systemtic Name: (1S)-2-piperidin-1-ium-1-yl-1-(4-propan-2-ylphenyl)ethanamine Openeye Name: (1S)-1-(4-isopropylphenyl)-2-piperidin-1-ium-1-yl-ethanamine CAS Name: (1S)-2-(1-piperidin-1-iumyl)-1-(4-propan-2-ylphenyl)ethanamine IUPAC Name: (1S)-2-piperidin-1-ium-1-yl-1-(4-propan-2-ylphenyl)ethanamine Traditional Name: [(1S)-1-p-cumenyl-2-piperidin-1-ium-1-yl-ethyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C[NH+]2CCCCC2)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](C[NH+]2CCCCC2)N

InChI

InChI=1S/C16H26N2/c1-13(2)14-6-8-15(9-7-14)16(17)12-18-10-4-3-5-11-18/h6-9,13,16H,3-5,10-12,17H2,1-2H3/p+1/t16-/m1/s1