[(2S)-2-[(4-chlorophenyl)methyl]-2-methyl-3-piperidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(2S)-2-[(4-chlorophenyl)methyl]-2-methyl-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(2S)-2-[(4-chlorophenyl)methyl]-2-methyl-3-piperidin-1-ium-1-yl-propyl]ammonium CAS Name: [(2S)-2-[(4-chlorophenyl)methyl]-2-methyl-3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-[(4-chlorophenyl)methyl]-2-methyl-3-piperidin-1-ium-1-ylpropyl]azanium Traditional Name: [(2S)-2-(4-chlorobenzyl)-2-methyl-3-piperidin-1-ium-1-yl-propyl]ammonium Formula: C16H27ClN2+2 MolecularWeight: 282.85198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2/c1-16(12-18,13-19-9-3-2-4-10-19)11-14-5-7-15(17)8-6-14/h5-8H,2-4,9-13,18H2,1H3/p+2/t16-/m0/s1