(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: (5-methoxy-3-methyl-benzofuran-2-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: (5-methoxy-3-methyl-2-benzofuranyl)-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (5-methoxy-3-methyl-benzofuran-2-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](C[C@H]3C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N2O3/c1-15-18-13-17(26-3)9-10-20(18)27-21(15)22(25)24-12-11-23(2)14-19(24)16-7-5-4-6-8-16/h4-10,13,19H,11-12,14H2,1-3H3/p+1/t19-/m0/s1