3-[[(3S)-1-(2-chloranylpyridin-4-yl)carbonylpiperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-(2-chloranylpyridin-4-yl)carbonylpiperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(2-chloropyridine-4-carbonyl)-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-[(2-chloro-4-pyridinyl)-oxomethyl]-3-piperidinyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(2-chloropyridine-4-carbonyl)piperidin-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(2-chloroisonicotinoyl)-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C17H28ClN4O+ MolecularWeight: 339.88342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C)C1CCCN(C1)C(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

C[NH+](C)CCCN(C)[C@H]1CCCN(C1)C(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C17H27ClN4O/c1-20(2)9-5-10-21(3)15-6-4-11-22(13-15)17(23)14-7-8-19-16(18)12-14/h7-8,12,15H,4-6,9-11,13H2,1-3H3/p+1/t15-/m0/s1