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

Systemtic Name: 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[5-(2-chlorophenyl)-2-furyl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[[5-(2-chlorophenyl)-2-furanyl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[5-(2-chlorophenyl)-2-furyl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CC[NH+](CCC2=O)CC3=CC=C(O3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC1CN2CC[NH+](CCC2=O)CC3=CC=C(O3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H23ClN2O2/c21-18-4-2-1-3-17(18)19-8-7-16(25-19)14-22-10-9-20(24)23(12-11-22)13-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2/p+1