3-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propyl]-1,3-benzoxazol-2-one Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H27N3O3/c31-25(15-16-30-23-13-7-8-14-24(23)33-27(30)32)28-17-19-29(20-18-28)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,26H,15-20H2/p+1