(3S)-1-[3-(4-chloranyl-3-ethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[3-(4-chloranyl-3-ethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[3-(4-chloro-3-ethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[3-(4-chloro-3-ethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium Formula: C17H27ClNO+ MolecularWeight: 296.85538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCC[NH+]2CCCC(C2)C)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCC[NH+]2CCC[C@@H](C2)C)Cl

InChI

InChI=1S/C17H26ClNO/c1-3-15-12-16(7-8-17(15)18)20-11-5-10-19-9-4-6-14(2)13-19/h7-8,12,14H,3-6,9-11,13H2,1-2H3/p+1/t14-/m0/s1