(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-N-(pyridin-3-ylmethyl)ethanamine

Systemtic Name: (2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-N-(pyridin-3-ylmethyl)ethanamine Openeye Name: (2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)-N-(3-pyridylmethyl)ethanamine CAS Name: (2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)-N-(3-pyridinylmethyl)ethanamine IUPAC Name: (2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-N-(pyridin-3-ylmethyl)ethanamine Traditional Name: [(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]-(3-pyridylmethyl)amine Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c1-17-7-9-19(10-8-17)20(23-12-3-2-4-13-23)16-22-15-18-6-5-11-21-14-18/h5-11,14,20,22H,2-4,12-13,15-16H2,1H3/p+1/t20-/m0/s1