(3-methyl-1-benzofuran-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-methylbenzofuran-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-methyl-2-benzofuranyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-methylbenzofuran-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C16H20N2O2/c1-12-13-6-3-4-7-14(13)20-15(12)16(19)18-9-5-8-17(2)10-11-18/h3-4,6-7H,5,8-11H2,1-2H3/p+1