4-[(3-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-chlorophenyl)methyl]-1-(2-furylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-chlorophenyl)methyl]-1-(2-furanylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(3-chlorobenzyl)-1-(2-furfuryl)-1,4-diazepan-1-ium-5-one Formula: C17H20ClN2O2+ MolecularWeight: 319.8059

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)Cl)CC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)Cl)CC3=CC=CO3

InChI

InChI=1S/C17H19ClN2O2/c18-15-4-1-3-14(11-15)12-20-9-8-19(7-6-17(20)21)13-16-5-2-10-22-16/h1-5,10-11H,6-9,12-13H2/p+1