(5-chloranyl-2-oxidanyl-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C16H25ClN2O/c1-13-5-2-3-9-19(13)10-4-8-18-12-14-11-15(17)6-7-16(14)20/h6-7,11,13,18,20H,2-5,8-10,12H2,1H3/p+2/t13-/m0/s1