3-[[(3S)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-[(3-acetylphenyl)methyl]-3-piperidin-1-iumyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(3-acetylbenzyl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-ammonium Formula: C20H35N3O+2 MolecularWeight: 333.5114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)N(C)CCC[NH+](C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)N(C)CCC[NH+](C)C

InChI

InChI=1S/C20H33N3O/c1-17(24)19-9-5-8-18(14-19)15-23-13-6-10-20(16-23)22(4)12-7-11-21(2)3/h5,8-9,14,20H,6-7,10-13,15-16H2,1-4H3/p+2/t20-/m0/s1