(E)-3-(4-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)-2-propen-1-one IUPAC Name: (E)-3-(4-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one Formula: C14H18ClN2O+ MolecularWeight: 265.75852

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN2O/c15-13-5-2-12(3-6-13)4-7-14(18)17-10-1-8-16-9-11-17/h2-7,16H,1,8-11H2/p+1/b7-4+