(phenylmethyl) (3R)-3-naphthalen-2-ylpiperazin-4-ium-1-carboxylate

Systemtic Name: (phenylmethyl) (3R)-3-naphthalen-2-ylpiperazin-4-ium-1-carboxylate Openeye Name: benzyl (3R)-3-(2-naphthyl)piperazin-4-ium-1-carboxylate CAS Name: (3R)-3-(2-naphthalenyl)-1-piperazin-4-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-naphthalen-2-ylpiperazin-4-ium-1-carboxylate Traditional Name: (3R)-3-(2-naphthyl)piperazin-4-ium-1-carboxylic acid benzyl ester Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH2+]1)C2=CC3=CC=CC=C3C=C2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]([NH2+]1)C2=CC3=CC=CC=C3C=C2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2/c25-22(26-16-17-6-2-1-3-7-17)24-13-12-23-21(15-24)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,21,23H,12-13,15-16H2/p+1/t21-/m0/s1