2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]acetamide CAS Name: 2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-N-p-cumenyl-acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)COCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)COCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H28N4O3/c1-17(2)18-6-8-19(9-7-18)24-21(27)15-29-16-22(28)26-13-11-25(12-14-26)20-5-3-4-10-23-20/h3-10,17H,11-16H2,1-2H3,(H,24,27)/p+1