ethyl 4-[4-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-[isopropyl(methyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-[isopropyl(methyl)amino]-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C(C)C

InChI

InChI=1S/C19H29N3O5S/c1-5-27-19(24)16-6-8-17(9-7-16)28(25,26)22-12-10-21(11-13-22)14-18(23)20(4)15(2)3/h6-9,15H,5,10-14H2,1-4H3/p+1