2-[[(3S)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-1-[(2-chlorophenyl)methyl]-3-piperidin-1-iumyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-(2-chlorobenzyl)piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C17H30ClN3+2 MolecularWeight: 311.8932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C1CCC[NH+](C1)CC2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)CCN(C)[C@H]1CCC[NH+](C1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C17H28ClN3/c1-19(2)11-12-20(3)16-8-6-10-21(14-16)13-15-7-4-5-9-17(15)18/h4-5,7,9,16H,6,8,10-14H2,1-3H3/p+2/t16-/m0/s1