1-(1,4-diazepan-4-ium-1-yl)-3-(3-methylphenoxy)propan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(3-methylphenoxy)propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(3-methylphenoxy)propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(3-methylphenoxy)-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(3-methylphenoxy)propan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(3-methylphenoxy)propan-1-one Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C15H22N2O2/c1-13-4-2-5-14(12-13)19-11-6-15(18)17-9-3-7-16-8-10-17/h2,4-5,12,16H,3,6-11H2,1H3/p+1