ethyl 4-[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C24H27N2O5S+ MolecularWeight: 455.54658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C24H26N2O5S/c1-2-31-24(28)19-7-10-20(11-8-19)32(29,30)26-15-13-25(14-16-26)17-22-21-6-4-3-5-18(21)9-12-23(22)27/h3-12,27H,2,13-17H2,1H3/p+1