furan-2-ylmethyl-methyl-[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: 2-furylmethyl-methyl-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]ammonium CAS Name: 2-furanylmethyl-methyl-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]azanium Traditional Name: 2-furfuryl-[2-keto-2-(4-mesitylsulfonylpiperazino)ethyl]-methyl-ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3)C

InChI

InChI=1S/C21H29N3O4S/c1-16-12-17(2)21(18(3)13-16)29(26,27)24-9-7-23(8-10-24)20(25)15-22(4)14-19-6-5-11-28-19/h5-6,11-13H,7-10,14-15H2,1-4H3/p+1