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

Systemtic Name: 1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C17H24ClN2O2+ MolecularWeight: 323.83766

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC[NH+](CCC1=O)CC(=CC2=CC=CC=C2)Cl

Isomeric SMILES

COCCN1CC[NH+](CCC1=O)C/C(=C/C2=CC=CC=C2)/Cl

InChI

InChI=1S/C17H23ClN2O2/c1-22-12-11-20-10-9-19(8-7-17(20)21)14-16(18)13-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3/p+1/b16-13-