ethyl 4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H22BrN2O3+ MolecularWeight: 394.28288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

InChI

InChI=1S/C18H21BrN2O3/c1-2-24-18(23)21-9-7-20(8-10-21)12-16-15-5-4-14(19)11-13(15)3-6-17(16)22/h3-6,11,22H,2,7-10,12H2,1H3/p+1