(2-butyl-1,3-benzoxazol-5-yl)-[(3R)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-butyl-1,3-benzoxazol-5-yl)-[(3R)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: (2-butyl-1,3-benzoxazol-5-yl)-[(3R)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: (2-butyl-1,3-benzoxazol-5-yl)-[(3R)-4-methyl-3-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: (2-butyl-1,3-benzoxazol-5-yl)-[(3R)-4-methyl-3-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (2-butyl-1,3-benzoxazol-5-yl)-[(3R)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]methanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CC[NH+](C(C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CC[NH+]([C@@H](C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O2/c1-3-4-10-22-24-19-15-18(11-12-21(19)28-22)23(27)26-14-13-25(2)20(16-26)17-8-6-5-7-9-17/h5-9,11-12,15,20H,3-4,10,13-14,16H2,1-2H3/p+1/t20-/m0/s1