[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [5-(4-chlorophenyl)-2-furyl]methyl-methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [5-(4-chlorophenyl)-2-furanyl]methyl-methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [5-(4-chlorophenyl)-2-furyl]methyl-[(3S)-2-ketoazepan-3-yl]-methyl-ammonium Formula: C18H22ClN2O2+ MolecularWeight: 333.83248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C3CCCCNC3=O

Isomeric SMILES

C[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Cl)[C@H]3CCCCNC3=O

InChI

InChI=1S/C18H21ClN2O2/c1-21(16-4-2-3-11-20-18(16)22)12-15-9-10-17(23-15)13-5-7-14(19)8-6-13/h5-10,16H,2-4,11-12H2,1H3,(H,20,22)/p+1/t16-/m0/s1