1-(azepan-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]ethanone Formula: C21H33N3O+2 MolecularWeight: 343.50622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O/c25-21(24-13-6-1-2-7-14-24)19-23-17-15-22(16-18-23)12-8-11-20-9-4-3-5-10-20/h3-5,8-11H,1-2,6-7,12-19H2/p+2/b11-8+