(2R)-2-(4-methylphenyl)-N-(phenylmethyl)-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: (2R)-2-(4-methylphenyl)-N-(phenylmethyl)-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: (2R)-N-benzyl-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethanamine CAS Name: (2R)-2-(4-methylphenyl)-N-(phenylmethyl)-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: (2R)-N-benzyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethanamine Traditional Name: benzyl-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]amine Formula: C21H29N2+ MolecularWeight: 309.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNCC2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C21H28N2/c1-18-10-12-20(13-11-18)21(23-14-6-3-7-15-23)17-22-16-19-8-4-2-5-9-19/h2,4-5,8-13,21-22H,3,6-7,14-17H2,1H3/p+1/t21-/m0/s1