2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-(6-methyl-5-propan-2-yl-3-benzofuranyl)acetamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C2CC(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C2CC(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H33N3O3/c1-18(2)23-15-24-20(17-33-25(24)13-19(23)3)14-26(31)28-22-9-11-30(12-10-22)16-27(32)29-21-7-5-4-6-8-21/h4-8,13,15,17-18,22H,9-12,14,16H2,1-3H3,(H,28,31)(H,29,32)/p+1