4-(diphenylmethyl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(diphenylmethyl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzhydryl-N-(3-methyl-5-phenyl-isoxazol-4-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-(diphenylmethyl)-N-(3-methyl-5-phenyl-4-isoxazolyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzhydryl-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzhydryl-N-(3-methyl-5-phenyl-isoxazol-4-yl)piperazin-4-ium-1-carboxamide Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NOC(=C1NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-21-25(27(34-30-21)24-15-9-4-10-16-24)29-28(33)32-19-17-31(18-20-32)26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,26H,17-20H2,1H3,(H,29,33)/p+1