ethyl 4-[(3-methoxycarbonyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-methoxycarbonyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-hydroxy-3-methoxycarbonyl-1-naphthyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-hydroxy-3-methoxycarbonyl-1-naphthalenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3-carbomethoxy-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H25N2O5+ MolecularWeight: 373.4229

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)OC)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)OC)O

InChI

InChI=1S/C20H24N2O5/c1-3-27-20(25)22-10-8-21(9-11-22)13-17-15-7-5-4-6-14(15)12-16(18(17)23)19(24)26-2/h4-7,12,23H,3,8-11,13H2,1-2H3/p+1