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

Systemtic Name: methyl 4-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: methyl 4-[4-[[5-methyl-2-(1-naphthyl)oxazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[[5-methyl-2-(1-naphthalenyl)-4-oxazolyl]methyl]-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-[[5-methyl-2-(1-naphthyl)oxazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoic acid methyl ester Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C27H27N3O3/c1-19-25(28-26(33-19)24-9-5-7-20-6-3-4-8-23(20)24)18-29-14-16-30(17-15-29)22-12-10-21(11-13-22)27(31)32-2/h3-13H,14-18H2,1-2H3/p+1