N-(1-ethylpiperidin-1-ium-4-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(1-ethylpiperidin-1-ium-4-yl)acetamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Formula: C20H34N4O3S+2 MolecularWeight: 410.57396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H32N4O3S/c1-2-22-10-8-19(9-11-22)21-20(25)16-23-12-14-24(15-13-23)28(26,27)17-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H,21,25)/p+2