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

Systemtic Name: (3R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-3-(phenylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-benzyl-4-[[5-methyl-2-(2-naphthyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[[5-methyl-2-(2-naphthalenyl)-4-oxazolyl]methyl]-3-(phenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-benzyl-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-benzyl-4-[[5-methyl-2-(2-naphthyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=CC=CC=C3C=C2)C[NH+]4CCNC(=O)C4CC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=CC=CC=C3C=C2)C[NH+]4CCNC(=O)[C@H]4CC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2/c1-18-23(28-26(31-18)22-12-11-20-9-5-6-10-21(20)16-22)17-29-14-13-27-25(30)24(29)15-19-7-3-2-4-8-19/h2-12,16,24H,13-15,17H2,1H3,(H,27,30)/p+1/t24-/m1/s1