N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-methoxy-3-methyl-benzamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-methoxy-3-methyl-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-methoxy-3-methyl-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-4-methoxy-3-methylbenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-methoxy-3-methylbenzamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-4-methoxy-3-methyl-benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C)OC

InChI

InChI=1S/C21H26N4O3/c1-15-13-17(6-7-19(15)28-3)21(27)23-14-18-5-4-8-22-20(18)25-11-9-24(10-12-25)16(2)26/h4-8,13H,9-12,14H2,1-3H3,(H,23,27)/p+1