3-chloranyl-N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-benzamide

Systemtic Name: 3-chloranyl-N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-benzamide Openeye Name: 3-chloro-N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-benzamide CAS Name: 3-chloro-N-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethylbenzamide IUPAC Name: 3-chloro-N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethylbenzamide Traditional Name: 3-chloro-N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-benzamide Formula: C22H28ClN2O+ MolecularWeight: 371.92352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCC[C@H](C1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O/c1-24-13-6-9-19(16-24)17-25(14-12-18-7-3-2-4-8-18)22(26)20-10-5-11-21(23)15-20/h2-5,7-8,10-11,15,19H,6,9,12-14,16-17H2,1H3/p+1/t19-/m1/s1