(3,5-dimethyl-1-benzofuran-2-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethyl-1-benzofuran-2-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethylbenzofuran-2-yl)methanone CAS Name: (3,5-dimethyl-2-benzofuranyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethylbenzofuran-2-yl)methanone Formula: C28H29N2O2+ MolecularWeight: 425.54206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O2/c1-20-13-14-25-24(19-20)21(2)27(32-25)28(31)30-17-15-29(16-18-30)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,26H,15-18H2,1-2H3/p+1