4-methyl-1-(naphthalen-2-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-(naphthalen-2-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-(2-naphthylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-(2-naphthalenylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-(naphthalen-2-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-(2-naphthylmethyl)-1,4-diazepan-1-ium-5-one Formula: C17H21N2O+ MolecularWeight: 269.36144

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CCC1=O)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN1CC[NH+](CCC1=O)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H20N2O/c1-18-10-11-19(9-8-17(18)20)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12H,8-11,13H2,1H3/p+1