(3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(3-methylbenzofuran-2-yl)methanone CAS Name: (3-methyl-2-benzofuranyl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(3-methylbenzofuran-2-yl)methanone Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2/c1-3-8-18-9-11-19(12-10-18)17(20)16-13(2)14-6-4-5-7-15(14)21-16/h3-7H,1,8-12H2,2H3/p+1