N-(2,6-dimethylphenyl)-2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(2-ethoxy-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-ethoxynicotinoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H28N4O3/c1-4-29-21-18(9-6-10-23-21)22(28)26-13-11-25(12-14-26)15-19(27)24-20-16(2)7-5-8-17(20)3/h5-10H,4,11-15H2,1-3H3,(H,24,27)/p+1