N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C22H32N4O2S+2 MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S/c1-3-26(4-2)29(27,28)21-12-13-22(23-19-21)25-17-15-24(16-18-25)14-8-11-20-9-6-5-7-10-20/h5-13,19H,3-4,14-18H2,1-2H3/p+2/b11-8+