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

Systemtic Name: [(2R)-2-[(2-methylphenyl)methyl]-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(2R)-2-(o-tolylmethyl)-3-piperidin-1-ium-1-yl-propyl]ammonium CAS Name: [(2R)-2-[(2-methylphenyl)methyl]-3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2R)-2-[(2-methylphenyl)methyl]-3-piperidin-1-ium-1-ylpropyl]azanium Traditional Name: [(2R)-2-(2-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=CC=C1CC(C[NH3+])C[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=CC=C1C[C@H](C[NH3+])C[NH+]2CCCCC2

InChI

InChI=1S/C16H26N2/c1-14-7-3-4-8-16(14)11-15(12-17)13-18-9-5-2-6-10-18/h3-4,7-8,15H,2,5-6,9-13,17H2,1H3/p+2/t15-/m1/s1