ethyl 4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-methyl-2-(1-naphthyl)oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-methyl-2-(1-naphthalenyl)-4-oxazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[5-methyl-2-(1-naphthyl)oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C22H25N3O3/c1-3-27-22(26)25-13-11-24(12-14-25)15-20-16(2)28-21(23-20)19-10-6-8-17-7-4-5-9-18(17)19/h4-10H,3,11-15H2,1-2H3/p+1