N-cyclopropyl-2-[4-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-(6,7-dimethylbenzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-(6,7-dimethyl-3-benzofuranyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-(6,7-dimethylbenzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

InChI

InChI=1S/C21H27N3O3/c1-14-3-6-18-16(13-27-21(18)15(14)2)11-20(26)24-9-7-23(8-10-24)12-19(25)22-17-4-5-17/h3,6,13,17H,4-5,7-12H2,1-2H3,(H,22,25)/p+1