4-(cyclohexylmethyl)-1-[(E)-3-(furan-2-yl)prop-2-enyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(cyclohexylmethyl)-1-[(E)-3-(furan-2-yl)prop-2-enyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclohexylmethyl)-1-[(E)-3-(2-furyl)allyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclohexylmethyl)-1-[(E)-3-(2-furanyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclohexylmethyl)-1-[(E)-3-(furan-2-yl)prop-2-enyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclohexylmethyl)-1-[(E)-3-(2-furyl)allyl]-1,4-diazepan-1-ium-5-one Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CC[NH+](CCC2=O)CC=CC3=CC=CO3

Isomeric SMILES

C1CCC(CC1)CN2CC[NH+](CCC2=O)C/C=C/C3=CC=CO3

InChI

InChI=1S/C19H28N2O2/c22-19-10-12-20(11-4-8-18-9-5-15-23-18)13-14-21(19)16-17-6-2-1-3-7-17/h4-5,8-9,15,17H,1-3,6-7,10-14,16H2/p+1/b8-4+