ethyl 4-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: ethyl 4-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 4-[(4-cyclopentyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonylbenzoic acid ethyl ester Formula: C18H27N2O4S+ MolecularWeight: 367.48298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C18H26N2O4S/c1-2-24-18(21)15-7-9-17(10-8-15)25(22,23)20-13-11-19(12-14-20)16-5-3-4-6-16/h7-10,16H,2-6,11-14H2,1H3/p+1