N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-piperidine-1-sulfonamide

Systemtic Name: N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-piperidine-1-sulfonamide Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N,N-dimethyl-piperidine-1-sulfonamide CAS Name: N,N-dimethyl-4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-piperidinesulfonamide IUPAC Name: N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]piperidine-1-sulfonamide Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N,N-dimethyl-piperidine-1-sulfonamide Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H32N4O3S/c1-22(2)29(27,28)25-13-10-20(11-14-25)21(26)24-17-15-23(16-18-24)12-6-9-19-7-4-3-5-8-19/h3-9,20H,10-18H2,1-2H3/p+1/b9-6+