1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-methyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-methyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-methyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-methyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-methyl-1,4-diazepan-1-ium-5-one Formula: C15H20ClN2O+ MolecularWeight: 279.7851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1CC[NH+](CCC1=O)C/C(=C/C2=CC=CC=C2)/Cl

InChI

InChI=1S/C15H19ClN2O/c1-17-9-10-18(8-7-15(17)19)12-14(16)11-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3/p+1/b14-11-