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

Systemtic Name: (2R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-methylphenoxy)butan-1-one Openeye Name: (2R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-methylphenoxy)butan-1-one CAS Name: (2R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-methylphenoxy)-1-butanone IUPAC Name: (2R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-methylphenoxy)butan-1-one Traditional Name: (2R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-methylphenoxy)butan-1-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC[NH+](CC1)C)OC2=CC=CC=C2C

Isomeric SMILES

CC[C@H](C(=O)N1CCC[NH+](CC1)C)OC2=CC=CC=C2C

InChI

InChI=1S/C17H26N2O2/c1-4-15(21-16-9-6-5-8-14(16)2)17(20)19-11-7-10-18(3)12-13-19/h5-6,8-9,15H,4,7,10-13H2,1-3H3/p+1/t15-/m1/s1