methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: methyl-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: methyl-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H30N4O4S/c1-3-10-23-21(27)16-24(2)17-22(28)25-11-13-26(14-12-25)31(29,30)20-9-8-18-6-4-5-7-19(18)15-20/h4-9,15H,3,10-14,16-17H2,1-2H3,(H,23,27)/p+1