(5-tert-butyl-2-methyl-furan-3-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-tert-butyl-2-methyl-furan-3-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-tert-butyl-2-methyl-3-furyl)methanone CAS Name: (5-tert-butyl-2-methyl-3-furanyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-tert-butyl-2-methylfuran-3-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-tert-butyl-2-methyl-3-furyl)methanone Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2/c1-20-23(19-24(31-20)27(2,3)4)26(30)29-17-15-28(16-18-29)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19,25H,15-18H2,1-4H3/p+1