(3-methyl-1-benzofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methylbenzofuran-2-yl)methanone CAS Name: (3-methyl-2-benzofuranyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methylbenzofuran-2-yl)methanone Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2/c1-16-18-9-5-6-10-19(18)25-20(16)21(24)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3/p+1