(2R)-2-(3-chloranylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one

Systemtic Name: (2R)-2-(3-chloranylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Openeye Name: (2R)-2-(3-chlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one CAS Name: (2R)-2-(3-chlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-butanone IUPAC Name: (2R)-2-(3-chlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Traditional Name: (2R)-2-(3-chlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC[NH+](CC1)C)OC2=CC(=CC=C2)Cl

Isomeric SMILES

CC[C@H](C(=O)N1CCC[NH+](CC1)C)OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H23ClN2O2/c1-3-15(21-14-7-4-6-13(17)12-14)16(20)19-9-5-8-18(2)10-11-19/h4,6-7,12,15H,3,5,8-11H2,1-2H3/p+1/t15-/m1/s1