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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O4S/c1-3-5-18-7-9-20(10-8-18)29(26,27)24-13-11-23(12-14-24)21(25)17-22(2)16-19-6-4-15-28-19/h4,6-10,15H,3,5,11-14,16-17H2,1-2H3/p+1