[(2R)-2-[(4-methylphenyl)methyl]-3-piperidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(2R)-2-[(4-methylphenyl)methyl]-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(2R)-2-(piperidin-1-ium-1-ylmethyl)-3-(p-tolyl)propyl]ammonium CAS Name: [(2R)-2-[(4-methylphenyl)methyl]-3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2R)-2-[(4-methylphenyl)methyl]-3-piperidin-1-ium-1-ylpropyl]azanium Traditional Name: [(2R)-2-(4-methylbenzyl)-3-piperidin-1-ium-1-yl-propyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C[NH3+])C[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C[NH3+])C[NH+]2CCCCC2

InChI

InChI=1S/C16H26N2/c1-14-5-7-15(8-6-14)11-16(12-17)13-18-9-3-2-4-10-18/h5-8,16H,2-4,9-13,17H2,1H3/p+2/t16-/m1/s1