(4-cyclohexylpiperazin-4-ium-1-yl)-[2-(phenylmethyl)-1,3-benzoxazol-5-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[2-(phenylmethyl)-1,3-benzoxazol-5-yl]methanone Openeye Name: (2-benzyl-1,3-benzoxazol-5-yl)-(4-cyclohexylpiperazin-4-ium-1-yl)methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[2-(phenylmethyl)-1,3-benzoxazol-5-yl]methanone IUPAC Name: (2-benzyl-1,3-benzoxazol-5-yl)-(4-cyclohexylpiperazin-4-ium-1-yl)methanone Traditional Name: (2-benzyl-1,3-benzoxazol-5-yl)-(4-cyclohexylpiperazin-4-ium-1-yl)methanone Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)CC5=CC=CC=C5

InChI

InChI=1S/C25H29N3O2/c29-25(28-15-13-27(14-16-28)21-9-5-2-6-10-21)20-11-12-23-22(18-20)26-24(30-23)17-19-7-3-1-4-8-19/h1,3-4,7-8,11-12,18,21H,2,5-6,9-10,13-17H2/p+1