3-[4-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(3-methyl-5-propyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[(3-methyl-5-propyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-(3-methyl-5-propyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]propionamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CCC(=O)N

Isomeric SMILES

CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CCC(=O)N

InChI

InChI=1S/C20H27N3O3/c1-3-4-15-5-6-17-16(13-15)14(2)19(26-17)20(25)23-11-9-22(10-12-23)8-7-18(21)24/h5-6,13H,3-4,7-12H2,1-2H3,(H2,21,24)/p+1