(2R)-2-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: (2R)-2-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: (2R)-N-(m-tolylmethyl)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: (2R)-2-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: (2R)-2-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (3-methylbenzyl)-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-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)C)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNCC2=CC=CC(=C2)C)[NH+]3CCCC3

InChI

InChI=1S/C21H28N2/c1-17-8-10-20(11-9-17)21(23-12-3-4-13-23)16-22-15-19-7-5-6-18(2)14-19/h5-11,14,21-22H,3-4,12-13,15-16H2,1-2H3/p+1/t21-/m0/s1