2-[2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]-N-phenyl-acetamide CAS Name: 2-[2-ethoxy-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]-N-phenylacetamide IUPAC Name: 2-[2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]-N-phenylacetamide Traditional Name: 2-[2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]-N-phenyl-acetamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-2-32-24-18-21(19-29-14-16-30(17-15-29)25-10-6-7-13-27-25)11-12-23(24)33-20-26(31)28-22-8-4-3-5-9-22/h3-13,18H,2,14-17,19-20H2,1H3,(H,28,31)/p+1