2-acetamido-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]ethanamide

Systemtic Name: 2-acetamido-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]ethanamide Openeye Name: 2-acetamido-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]acetamide CAS Name: 2-acetamido-N-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-acetamido-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]acetamide Traditional Name: 2-acetamido-N-[[2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl]acetamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)NCC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N5O3/c1-16(27)23-15-20(28)24-14-17-6-5-9-22-21(17)26-12-10-25(11-13-26)18-7-3-4-8-19(18)29-2/h3-9H,10-15H2,1-2H3,(H,23,27)(H,24,28)/p+1