tert-butyl 4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-20(2,3)25-19(24)22-12-10-21(11-13-22)14-17-16-7-5-4-6-15(16)8-9-18(17)23/h4-9,23H,10-14H2,1-3H3/p+1