(1-methylsulfonylpiperidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (1-methylsulfonylpiperidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(1-methylsulfonyl-4-piperidyl)methanone CAS Name: (1-methylsulfonyl-4-piperidinyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (1-methylsulfonylpiperidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(1-mesyl-4-piperidyl)methanone Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-27(25,26)23-12-9-19(10-13-23)20(24)22-16-14-21(15-17-22)11-5-8-18-6-3-2-4-7-18/h2-8,19H,9-17H2,1H3/p+1/b8-5+