1-[(E)-3-phenylprop-2-enyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(E)-cinnamyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(E)-cinnamyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one Formula: C21H33N3O+2 MolecularWeight: 343.50622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2CC[NH+](CCC2=O)CC=CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCN2CC[NH+](CCC2=O)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O/c25-21-11-15-23(14-7-10-20-8-3-1-4-9-20)17-19-24(21)18-16-22-12-5-2-6-13-22/h1,3-4,7-10H,2,5-6,11-19H2/p+2/b10-7+