1-[4-(3-chlorophenyl)-1-methyl-azepan-1-ium-1-yl]ethanol

Systemtic Name: 1-[4-(3-chlorophenyl)-1-methyl-azepan-1-ium-1-yl]ethanol Openeye Name: 1-[4-(3-chlorophenyl)-1-methyl-azepan-1-ium-1-yl]ethanol CAS Name: 1-[4-(3-chlorophenyl)-1-methyl-1-azepan-1-iumyl]ethanol IUPAC Name: 1-[4-(3-chlorophenyl)-1-methylazepan-1-ium-1-yl]ethanol Traditional Name: 1-[4-(3-chlorophenyl)-1-methyl-azepan-1-ium-1-yl]ethanol Formula: C15H23ClNO+ MolecularWeight: 268.80222

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1(CCCC(CC1)C2=CC(=CC=C2)Cl)C)O

Isomeric SMILES

CC([N+]1(CCCC(CC1)C2=CC(=CC=C2)Cl)C)O

InChI

InChI=1S/C15H23ClNO/c1-12(18)17(2)9-4-6-13(8-10-17)14-5-3-7-15(16)11-14/h3,5,7,11-13,18H,4,6,8-10H2,1-2H3/q+1