(2S)-2-(4-methoxyphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one

Systemtic Name: (2S)-2-(4-methoxyphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Openeye Name: (2S)-2-(4-methoxyphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one CAS Name: (2S)-2-(4-methoxyphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-butanone IUPAC Name: (2S)-2-(4-methoxyphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Traditional Name: (2S)-2-(4-methoxyphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-4-16(22-15-8-6-14(21-3)7-9-15)17(20)19-11-5-10-18(2)12-13-19/h6-9,16H,4-5,10-13H2,1-3H3/p+1/t16-/m0/s1