N-(2-morpholin-4-ium-4-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-mesitylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carboxamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCC[NH+]3CCOCC3)C

InChI

InChI=1S/C20H32N4O4S/c1-16-14-17(2)19(18(3)15-16)29(26,27)24-8-6-23(7-9-24)20(25)21-4-5-22-10-12-28-13-11-22/h14-15H,4-13H2,1-3H3,(H,21,25)/p+1